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There are 23 purchasable compounds for target: AFABP

Wt: 280.4
BDBM22231
Wt: 304.4
BDBM22319
Wt: 282.4
BDBM50150484
Wt: 249.6
BDBM50152892
Wt: 311.7
BDBM50152893
Wt: 263.7
BDBM50152897
Wt: 256.4
BDBM50152850
Wt: 239.2
BDBM50152856
Wt: 225.2
BDBM50152869
Wt: 474.5
BDBM50212873
Wt: 284.4
BDBM50240485
Wt: 282.4
BDBM50250904
Wt: 337.3
BDBM50310988
Wt: 403.5
BDBM50319697
Wt: 277.7
BDBM50319698
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 22231,22319,50150484,50152892,50152893,50152897,50152850,50152856,50152869,50212873,50240485,50250904,50310988,50319697,50319698   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50212873
PNG
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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7.40n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50212873
PNG
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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15n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of fluorescent 1-anilinonapthalene 8-sulfonic acid from human a-FABP by fluorescence spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Rattus norvegicus)
BDBM50212873
PNG
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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29n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of rat ap2 by fluorescent 1,8-anilino-8-naphthalene sulfonate assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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185n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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336n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from aFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50310988
PNG
(4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]am...)
Show SMILES COC(=O)c1sc(cc1NC(=O)\C=C\C(O)=O)-c1cccs1
Show InChI InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4+
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670n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of radiolabeled 1-anilinonapthalene 8-sulfonic acid from AFABP expressed in Escherichia coli BL21 (DE3) by fluorescence spectrophotometr...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/a 930n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against adipocyte fatty acid binding protein(A-FABP)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50152893
PNG
(2-(4-Chloro-benzylamino)-6-phenyl-pyrimidin-4-ol |...)
Show SMILES Clc1ccc(CNc2nc(cc(=O)[nH]2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H14ClN3O/c18-14-8-6-12(7-9-14)11-19-17-20-15(10-16(22)21-17)13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against A-FABP (Adipocyte fatty acid binding protein)


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50152892
PNG
(2-(4-Chloro-benzylamino)-6-methyl-pyrimidin-4-ol |...)
Show SMILES Cc1cc(=O)[nH]c(NCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C12H12ClN3O/c1-8-6-11(17)16-12(15-8)14-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H2,14,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against A-FABP (Adipocyte fatty acid binding protein)


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50152897
PNG
(2-(4-Chloro-benzylamino)-6-ethyl-pyrimidin-4-ol | ...)
Show SMILES CCc1cc(=O)[nH]c(NCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C13H14ClN3O/c1-2-11-7-12(18)17-13(16-11)15-8-9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3,(H2,15,16,17,18)
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n/an/a 4.70E+4n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against A-FABP (Adipocyte fatty acid binding protein)


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50319697
PNG
(2,6-bis((1H-benzo[d]imidazol-2-ylthio)methyl)pyrid...)
Show SMILES C(Sc1nc2ccccc2[nH]1)c1cccc(CSc2nc3ccccc3[nH]2)n1
Show InChI InChI=1S/C21H17N5S2/c1-2-9-17-16(8-1)23-20(24-17)27-12-14-6-5-7-15(22-14)13-28-21-25-18-10-3-4-11-19(18)26-21/h1-11H,12-13H2,(H,23,24)(H,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50319698
PNG
(2-(2-(3-chloro-4-fluorophenylamino)-2-oxoethylthio...)
Show SMILES OC(=O)CSCC(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C10H9ClFNO3S/c11-7-3-6(1-2-8(7)12)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
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n/an/a 5.95E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a 1.36E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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n/an/a 2.61E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50319698
PNG
(2-(2-(3-chloro-4-fluorophenylamino)-2-oxoethylthio...)
Show SMILES OC(=O)CSCC(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C10H9ClFNO3S/c11-7-3-6(1-2-8(7)12)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to li...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to li...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50212873
PNG
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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n/an/a 221n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP4 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50152869
PNG
(CHEMBL185432 | Carbazol-9-yl-acetic acid)
Show SMILES OC(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C14H11NO2/c16-14(17)9-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8H,9H2,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against adipocyte fatty acid binding protein(A-FABP)


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50152856
PNG
(3-Carbazol-9-yl-propionic acid | CHEMBL184817)
Show SMILES OC(=O)CCn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C15H13NO2/c17-15(18)9-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8H,9-10H2,(H,17,18)
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n/an/a 9.40E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against adipocyte fatty acid binding protein(A-FABP)


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50240485
PNG
(18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | ER...)
Show SMILES CCCCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
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n/an/an/a 8.00E+4n/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against Adipocyte lipid binding protein


J Med Chem 45: 2469-83 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50250904
PNG
(CHEMBL460657 | Elaidinsaeure | elaidic acid | tran...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
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n/an/an/a 5.80E+4n/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against Adipocyte lipid binding protein


J Med Chem 45: 2469-83 (2002)

More data for this
Ligand-Target Pair
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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Article
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n/an/a 1.77E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FABP4 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM22319
PNG
((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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n/an/an/a 180n/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against Adipocyte lipid binding protein


J Med Chem 45: 2469-83 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/an/a 8.30E+4n/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against Adipocyte lipid binding protein


J Med Chem 45: 2469-83 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)