2.5.1.21: squalene synthase

This is an abbreviated version!
For detailed information about squalene synthase, go to the full flat file.

Word Map on EC 2.5.1.21

2.5.1.21

farnesylation

cholesterol

prenylation

sterol

ftase

mevalonate

geranylgeranylation

isoprenoids

leukemia

geranylgeranyltransferase

pyrophosphate

tipifarnib

hmg-coa

statin

h-ras

peptidomimetic

epoxidase

prenyltransferase

dolichols

rhob

isoprenylation

triterpene

farnesol

3-hydroxy-3-methylglutaryl

lamins

ergosterol

cholesterol-lowering

hmgcr

prelamin

p21ras

lovastatin

hutchinson-gilford

lanosterol

manumycin

triterpenoids

synthesis

progerin

farnesylpyrophosphate

cis-prenyltransferase

drug development

oxidosqualene

ras-transformed

medicine

ras-dependent

nonsterols

ras-mediated

withanolides

srebp-2

ganoderic

agriculture

geranylgeraniol

industry

cycloartenol

non-thiol

2,3-oxidosqualene

Reaction

2 (2E,6E)-farnesyl diphosphate +

+ 2 diphosphate +

Synonyms

BbSS, BSS, CrSQS, dt-ySQase, Erg9, EtSS, farnesyl-diphosphate farnesyltransferase, farnesyl-diphosphate:farnesyldiphosphate farnesyltransferase, farnesyldiphosphate farnesyltransferase 1, farnesyldiphosphate:farnesyldiphosphate farnesyltransferase, farnesyltransferase, FDFT1, hSQS, presqualene synthase, presqualene-diphosphate synthase, SgSQS, SQase, SQS, SQS1, SQS2, squalene synthase, squalene synthase 1, squalene synthase 2, squalene synthetase, SS1, SSase, SSN, synthase, squalene, TkSQS1, TkSQS2

ECTree

2 Transferases

2.5 Transferring alkyl or aryl groups, other than methyl groups

2.5.1 Transferring alkyl or aryl groups, other than methyl groups (only sub-subclass identified to date)

2.5.1.21 squalene synthase

Advanced search results

Do not include text mining results

Include

results (more...)

Include

results (more...)

Results	in table
14	Activating Compound
5668	AA Sequence
19	Application
1	CAS Registry Number
61	Cloned(Commentary)
63	Cofactor
4	Crystallization (Commentary)
2119	Disease/ Diagnostics
6	Expression
85	General Information
12	General Stability
108	IC50 Value
227	Inhibitors
4	kcat/KM [mM/s]
2	Ki Value [mM]
29	KM Value [mM]
66	Localization
50	Metals/Ions
33	Molecular Weight [Da]
58	Natural Substrates/ Products (Substrates)
128	Organism
6	Pathway
136	PDB ID
14	pH Optimum
4	pH Range
1	pH Stability
9	pI Value
66	Protein Variants
28	Purification (Commentary)
14	Reaction
11	Reaction Type
127	Reference
84	Source Tissue
13	Specific Activity [micromol/min/mg]
3	Storage Stability
155	Substrates and Products (Substrate)
35	Subunits
98	Synonyms
1	Systematic Name
18	Temperature Optimum [°C]
4	Temperature Range [°C]
3	Temperature Stability [°C]
8	Turnover Number [1/s]

IC50 Value

print visible entries

print all entries

Go back to the abbreviated version
of the Enzyme Summary Page.

IC50 Value on EC 2.5.1.21 - squalene synthase

Please wait a moment until all data is loaded. This message will disappear when all data is loaded.

top print hide

Go to IC50 Value Search

0.0014

(1-[[(1R,5S)-7-chloro-5-(2-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetyl]piperidin-4-yl)acetic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.000213

(1-[[(3R,5S)-1-[3-(acetyloxy)-2,2-dimethylpropyl]-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl)acetic acid

Homo sapiens

pH and temperature not specified in the publication

721802

0.00026

(1-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl)acetic acid

Homo sapiens

pH and temperature not specified in the publication

721802

0.000131

(1-[[(6S)-8-chloro-6-(2,3-dimethoxyphenyl)-1-(propan-2-yl)-6,10b-dihydro-1H,4H-[2]benzoxepino[4,5-c][1,2]oxazol-4-yl]acetyl]piperidin-4-yl)acetic acid

Homo sapiens

pH and temperature not specified in the publication

721802

0.00037

(1R,5S)-7-chloro-5-(2-methoxyphenyl)-1-(2-methylpropyl)-3-[2-oxo-2-(piperidin-1-yl)ethyl]-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one

Homo sapiens

pH and temperature not specified in the publication

721801

0.0055

(2E)-3-[(1R,5S)-3-(carboxymethyl)-7-chloro-5-(2-chlorophenyl)-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepin-1-yl]-2-methylprop-2-enoic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.0015

(3R)-3-[[3-(benzyloxy)phenyl]ethynyl]-1-azabicyclo[2.2.2]octan-3-ol

Trypanosoma cruzi

IC50: 1500 nM

671377

0.0000014

(3S)-1-(3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)propanoyl)-3-piperidine carboxylic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000023

(3S)-1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl]-3-piperidinecarboxylic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000017

1-(2-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-2H-1,2,3,4-tetrazol-5-yl)cyclopropanecarboxylic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000022

1-(3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)propanoyl)-3-azetidine carboxylic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000034

1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl]-4-piperidinecarboxylic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.00000059

1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-1H-1,2,3-triazole-4-carboxylic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000021

1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-1H-pyrazole-4-carboxylic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.00022

1-[[(1R,5R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetyl]piperidine-4-carboxylic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.00045

1-[[(1R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetyl]piperidine-4-carboxylic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.00093

1-[[(1R,5S)-7-chloro-5-(2-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetyl]piperidine-4-carboxylic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.0005

1-[[(1R,5S)-7-chloro-5-(2-methoxyphenyl)-1-(2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetyl]piperidine-4-carboxylic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.02

1-[[(1S,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetyl]piperidine-4-carboxylic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.000112

1-[[(6S)-8-chloro-6-(2,3-dimethoxyphenyl)-1-(propan-2-yl)-6,10b-dihydro-1H,4H-[2]benzoxepino[4,5-c][1,2]oxazol-4-yl]acetyl]piperidine-4-carboxylic acid

Homo sapiens

pH and temperature not specified in the publication

721802

0.0184

11,12-di-O-methylcarnosol

Rattus norvegicus

Q02769

pH 7.4, 37°C

759842

0.378

11,12-diacetyl-carnosol

Rattus norvegicus

Q02769

pH 7.4, 37°C

759842

0.000007

2-(1-(3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl)-3-azetidinyl)acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000013

2-(1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl]-4-piperidinyl)acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.00000051

2-(1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-1H-1,2,3-triazol-4-yl)acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.00000081

2-(1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-1H-1,2,3-triazol-5-yl)acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000013

2-(1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-1H-pyrazol-3-yl)acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000031

2-(1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-1H-pyrazol-4-yl)acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000016

2-(1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-1H-pyrazol-5-yl)acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0006

2-(1-[2-[(4S,6R)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl]-4-piperidinyl)acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000027

2-(1-[2-[8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl]-4-piperidinyl)acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000024

2-(1-[3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl]-4-piperidinyl)acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000011

2-(2-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)ethyl]-2H-1,2,3,4-tetrazol-5-yl]-2-methylpropanoic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000011

2-(2-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)ethyl]-2H-1,2,3,4-tetrazol-5-yl]acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000011

2-(2-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-1H-1,2,3,4-tetrazol-5-yl)acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000043

2-(4-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl]-1-piperazinyl)acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000022

2-(4-[3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl]-2-oxo-1-piperazinyl)acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.007

2-(trans-4-stilbenyl)-4-methyl-morpholin-2-ol

Rattus norvegicus

Q02769

pH and temperature not specified in the publication

759144

0.0000023

2-([2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl]amino)acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000017

2-[(1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-1H-1,2,3-triazol-4-yl)methoxy]-2-ethylbutanoic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.00000069

2-[(1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-1H-1,2,3-triazol-4-yl)methoxy]-2-methylpropanoic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.00000068

2-[(1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-1H-1,2,3-triazol-4-yl)methoxy]acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000009

2-[(1-[3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl]-4-piperidinyl)methoxy]acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000008

2-[(1-[3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl]-4-piperidinyl)oxy]acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000025

2-[(2-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-2H-1,2,3,4-tetrazol-5-yl)methoxy]-2-methylpropanoic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.000162

2-[(6S)-8-chloro-6-(2,3-dimethoxyphenyl)-1-(propan-2-yl)-6,10b-dihydro-1H,4H-[2]benzoxepino[4,5-c][1,2]oxazol-4-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone

Homo sapiens

pH and temperature not specified in the publication

721802

0.0000016

2-[1,8-dichloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.00000089

2-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-2H-1,2,3,4-tetrazol-5-carboxylic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0006

2-[8-chloro-6-(1-naphthyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.000052

2-[8-chloro-6-(2,3-dichlorobenzoyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.00044

2-[8-chloro-6-(2,3-dihydro-1,4-benzodioxin-5-yl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000076

2-[8-chloro-6-(2,3-dimethoxyphenyl)-1-(4-morpholinylmethyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.00054

2-[8-chloro-6-(2,3-dimethoxyphenyl)-1-[(dimethylamino)methyl]-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000033

2-[8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.00000085

3-(2-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl]-2H-1,2,3,4-tetrazol-5-yl)propanoic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.00073

3-(biphenyl-4-ylmethyl)-1-azabicyclo[2.2.2]oct-2-ene

Trypanosoma cruzi

IC50: 730 nM

671377

0.042

3-(trans-4-stilbenyl)octahydropyridino[2,1-c][1,4]oxazin-3-ol

Rattus norvegicus

Q02769

pH and temperature not specified in the publication

759144

0.000004

3-([2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl]amino)benzoic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000029

3-([2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl]amino)propionic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000014

3-[(1-[3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl]-4-piperidinyl)oxy]propanoic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0000031

3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6Hpyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propionic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.00083

3-[[4-(benzyloxy)phenyl]ethynyl]-1-azabicyclo[2.2.2]oct-2-ene

Trypanosoma cruzi

IC50: 830 nM

671377

0.0065

4-methyl-2-(3',5'-di-tert-butyl-4'-hydroxy-4-biphenyl)-3,4-dihydro-2H-1,4-benzothiazine-2-ol

Rattus norvegicus

Q02769

pH and temperature not specified in the publication

759144

0.0085

4-methyl-2-(4'-hydroxybiphenyl)-3,4-dihydro-2H-1,4-benzothiazin-2-ol

Rattus norvegicus

Q02769

pH and temperature not specified in the publication

759144

0.014

4-methyl-2-(4'-trifluromethyl-4-biphenyl)-3,4-dihydro-2H-1,4-benzothiazine-2-ol

Rattus norvegicus

Q02769

pH and temperature not specified in the publication

759144

0.028

4-methyl-2-phenyl-3,4-dihydro-2H-benzothiazin-2-ol

Rattus norvegicus

Q02769

pH and temperature not specified in the publication

759144

0.05

4-methyl-2-phenyl-3,4-dihydro-2H-benzoxazin-2-ol

Rattus norvegicus

Q02769

pH and temperature not specified in the publication

759144

0.0000016

4-[3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl]-2-morpholine carboxylic acid

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0024

6-([[(1R,5S)-7-chloro-5-(2-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetyl]amino)hexanoic acid

Homo sapiens

pH and temperature not specified in the publication

721801

1.336

7alpha-ethoxyrosmanol

Rattus norvegicus

Q02769

pH 7.4, 37°C

759842

0.543

7alpha-methoxyrosmanol

Rattus norvegicus

Q02769

pH 7.4, 37°C

759842

0.0176

carnosol

Rattus norvegicus

Q02769

pH 7.4, 37°C

759842

1.524

carnosol quinone

Rattus norvegicus

Q02769

pH 7.4, 37°C

759842

0.00083

celastrol

Aspergillus flavus

A0A2P2GY60

pH 7.4, temperature not specified in the publication

758735

0.0001

chlorogenic acid

Sus scrofa

pH 7.4, 37°C

688316

0.087

CKTE

Homo sapiens

P37268

pH and temperature not specified in the publication

737480

0.064

CLSPHSMFC

Homo sapiens

P37268

pH and temperature not specified in the publication

737480

0.00013

CP-294838

Homo sapiens

P37268

a benzoxazepinone IC50 130 nM

489849

0.00002

CP-295697

Homo sapiens

P37268

a bisphosphonate, IC50: 20 nM

489849

0.00000084

E5700

Trypanosoma cruzi

IC50: 0.84 nM

671377

0.00000352

ER119884

Trypanosoma cruzi

IC50: 3.52 nM

671377

0.00005

ethyl 4-(1-azabicyclo[2.2.2]oct-2-en-3-yl)benzoate

Trypanosoma cruzi

IC50: 50 nM

671377

0.02

ethyl [(1R,5S)-7-chloro-5-(2-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetate

Homo sapiens

pH and temperature not specified in the publication

721801

0.0692

galdosol

Rattus norvegicus

Q02769

pH 7.4, 37°C

759842

0.0903

isorosmanol

Rattus norvegicus

Q02769

pH 7.4, 37°C

759842

0.00022

methyl 2-[8-chloro-6-(2,3-dimethoxyphenyl)-4H,6Hpyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetate

Rattus norvegicus

pH 7.2-7.5, 37°C

721838

0.0969

rosmadial

Rattus norvegicus

Q02769

pH 7.4, 37°C

759842

0.0802

rosmanol

Rattus norvegicus

Q02769

pH 7.4, 37°C

759842

0.0269

rosmaquinone

Rattus norvegicus

Q02769

pH 7.4, 37°C

759842

0.076

SMFC

Homo sapiens

P37268

pH and temperature not specified in the publication

737480

0.09

WHQW

Homo sapiens

P37268

pH and temperature not specified in the publication

737480

0.0000007

zaragozic acid

Homo sapiens

P37268

IC50 0.7 nM

489849

0.0000955

zaragozic acid A

Thermosynechococcus vestitus

pH 7.2, 37°C

687416

0.0153

[(1R,5R)-7-chloro-1-(2-methylpropyl)-2-oxo-5-phenyl-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.02

[(1R,5S)-1-benzyl-7-chloro-5-(2-chlorophenyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.0022

[(1R,5S)-5-(2-bromophenyl)-7-chloro-1-(2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.02

[(1R,5S)-5-(2-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.02

[(1R,5S)-5-(2-chlorophenyl)-7-fluoro-1-(2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.02

[(1R,5S)-5-(2-chlorophenyl)-7-methyl-1-(2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.0012

[(1R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.02

[(1R,5S)-7-chloro-5-(2-chlorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.0033

[(1R,5S)-7-chloro-5-(2-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.0019

[(1R,5S)-7-chloro-5-(2-methoxyphenyl)-1-(2-methylpropyl)-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetic acid

Homo sapiens

pH and temperature not specified in the publication

721801

0.00142

[(4R,6R)-8-chloro-6-(2,3-dimethoxyphenyl)-1-(propan-2-yl)-6,10b-dihydro-1H,4H-[2]benzoxepino[4,5-c][1,2]oxazol-4-yl]acetic acid

Homo sapiens

pH and temperature not specified in the publication

721802

0.000056

[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-1-(propan-2-yl)-6,10b-dihydro-1H,4H-[2]benzoxepino[4,5-c][1,2]oxazol-4-yl]acetic acid

Homo sapiens

pH and temperature not specified in the publication

721802

0.000169

[(4S,6R)-8-chloro-6-(2,3-dimethoxyphenyl)-1-(propan-2-yl)-6,10b-dihydro-1H,4H-[2]benzoxepino[4,5-c][1,2]oxazol-4-yl]acetic acid

Homo sapiens

pH and temperature not specified in the publication

721802

0.0055

[(4S,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-1-(propan-2-yl)-6,10b-dihydro-1H,4H-[2]benzoxepino[4,5-c][1,2]oxazol-4-yl]acetic acid

Homo sapiens

pH and temperature not specified in the publication

721802

0.000223

[(6S)-8-chloro-6-(2,3-dimethoxyphenyl)-1-(propan-2-yl)-6,10b-dihydro-1H,4H-[2]benzoxepino[4,5-c][1,2]oxazol-4-yl]acetic acid

Homo sapiens

pH and temperature not specified in the publication

721802