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Found 189 hits Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein 4 (FABP4)' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212876
PNG
(2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid | CHE...)
Show SMILES OC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27)
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2n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50192462
PNG
((S)-2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-hydroxy...)
Show SMILES O[C@H](C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2O5/c23-17-9-3-1-6-14(17)12-28-19-11-5-8-16(20(25)22(26)27)21(19)29-13-15-7-2-4-10-18(15)24/h1-11,20,25H,12-13H2,(H,26,27)/t20-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ap2


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212885
PNG
(CHEMBL245282 | [2'-(1-methyl-4,5-diphenyl-1H-imida...)
Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1
Show InChI InChI=1S/C30H25N3O2/c1-33-29(22-13-6-3-7-14-22)28(21-11-4-2-5-12-21)32-30(33)26-18-9-8-17-25(26)23-15-10-16-24(19-23)31-20-27(34)35/h2-19,31H,20H2,1H3,(H,34,35)
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2.70n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212884
PNG
(CHEMBL245284 | [2'-(1-ethyl-4,5-diphenyl-1H-imidaz...)
Show SMILES CCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C31H26N2O3/c1-2-33-30(23-14-7-4-8-15-23)29(22-12-5-3-6-13-22)32-31(33)27-19-10-9-18-26(27)24-16-11-17-25(20-24)36-21-28(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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3.30n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212877
PNG
(CHEMBL245653 | [2'-(1-ethyl-4,5-diphenyl-1H-imidaz...)
Show SMILES CCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1
Show InChI InChI=1S/C31H27N3O2/c1-2-34-30(23-14-7-4-8-15-23)29(22-12-5-3-6-13-22)33-31(34)27-19-10-9-18-26(27)24-16-11-17-25(20-24)32-21-28(35)36/h3-20,32H,2,21H2,1H3,(H,35,36)
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3.40n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212886
PNG
(CHEMBL247529 | [2'-(3-ethyl-4,5-diphenyl-furan-2-y...)
Show SMILES CCc1c(oc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C32H26O4/c1-2-26-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)36-32(26)28-19-10-9-18-27(28)24-16-11-17-25(20-24)35-21-29(33)34/h3-20H,2,21H2,1H3,(H,33,34)
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3.5n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50346469
PNG
(2-(2'-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyr...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1cc(-c2cccs2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H19ClN2O3S/c28-19-10-12-20(13-11-19)30-25(26-9-4-14-34-26)16-24(29-30)23-8-2-1-7-22(23)18-5-3-6-21(15-18)33-17-27(31)32/h1-16H,17H2,(H,31,32)
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5n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50029969
PNG
(CHEMBL126078 | [2'-(4,5-Diphenyl-oxazol-2-yl)-biph...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H21NO4/c31-26(32)19-33-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-30-27(20-10-3-1-4-11-20)28(34-29)21-12-5-2-6-13-21/h1-18H,19H2,(H,31,32)
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6n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50346465
PNG
(2-(2'-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyr...)
Show SMILES CCC(Oc1cccc(c1)-c1ccccc1-c1cc(-c2cccs2)n(n1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C29H23ClN2O3S/c1-2-27(29(33)34)35-22-8-5-7-19(17-22)23-9-3-4-10-24(23)25-18-26(28-11-6-16-36-28)32(31-25)21-14-12-20(30)13-15-21/h3-18,27H,2H2,1H3,(H,33,34)
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6n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50346468
PNG
(2-(2'-(1-(4-chlorophenyl)-5-(furan-2-yl)-1H-pyrazo...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1cc(-c2ccco2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H19ClN2O4/c28-19-10-12-20(13-11-19)30-25(26-9-4-14-33-26)16-24(29-30)23-8-2-1-7-22(23)18-5-3-6-21(15-18)34-17-27(31)32/h1-16H,17H2,(H,31,32)
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7n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
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 4 (FABP4)


(Homo sapiens (Human))
BDBM50212883
PNG
(CHEMBL397385 | {2'-[1-(2-fluoro-ethyl)-4,5-dipheny...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1nc(c(-c2ccccc2)n1CCF)-c1ccccc1
Show InChI InChI=1S/C31H25FN2O3/c32-18-19-34-30(23-12-5-2-6-13-23)29(22-10-3-1-4-11-22)33-31(34)27-17-8-7-16-26(27)24-14-9-15-25(20-24)37-21-28(35)36/h1-17,20H,18-19,21H2,(H,35,36)
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8.70n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212879
PNG
(CHEMBL248144 | [2'-(4,5-diphenyl-1H-imidazol-2-yl)...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H22N2O3/c32-26(33)19-34-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-30-27(20-10-3-1-4-11-20)28(31-29)21-12-5-2-6-13-21/h1-18H,19H2,(H,30,31)(H,32,33)
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9.30n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212887
PNG
(CHEMBL394966 | [2'-(4,5-diphenyl-1H-pyrrol-2-yl)-b...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1cc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H23NO3/c32-29(33)20-34-24-15-9-14-23(18-24)25-16-7-8-17-26(25)28-19-27(21-10-3-1-4-11-21)30(31-28)22-12-5-2-6-13-22/h1-19,31H,20H2,(H,32,33)
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12n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212877
PNG
(CHEMBL245653 | [2'-(1-ethyl-4,5-diphenyl-1H-imidaz...)
Show SMILES CCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1
Show InChI InChI=1S/C31H27N3O2/c1-2-34-30(23-14-7-4-8-15-23)29(22-12-5-3-6-13-22)33-31(34)27-19-10-9-18-26(27)24-16-11-17-25(20-24)32-21-28(35)36/h3-20,32H,2,21H2,1H3,(H,35,36)
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13n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50346467
PNG
(2-(2'-(1-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-yl...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H21ClN2O3/c30-22-13-15-23(16-14-22)32-28(20-7-2-1-3-8-20)18-27(31-32)26-12-5-4-11-25(26)21-9-6-10-24(17-21)35-19-29(33)34/h1-18H,19H2,(H,33,34)
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13n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212881
PNG
(CHEMBL396698 | [2'-(1-methyl-4,5-diphenyl-1H-imida...)
Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C30H24N2O3/c1-32-29(22-13-6-3-7-14-22)28(21-11-4-2-5-12-21)31-30(32)26-18-9-8-17-25(26)23-15-10-16-24(19-23)35-20-27(33)34/h2-19H,20H2,1H3,(H,33,34)
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13n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
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 4 (FABP4)


(Homo sapiens (Human))
BDBM50192463
PNG
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)acetic acid | ...)
Show SMILES OC(=O)Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2O4/c23-18-9-3-1-6-16(18)13-27-20-11-5-8-15(12-21(25)26)22(20)28-14-17-7-2-4-10-19(17)24/h1-11H,12-14H2,(H,25,26)
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ap2


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212874
PNG
(CHEMBL248145 | [2'-(4,5-diphenyl-1H-imidazol-2-yl)...)
Show SMILES OC(=O)CNc1cccc(c1)-c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H23N3O2/c33-26(34)19-30-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-31-27(20-10-3-1-4-11-20)28(32-29)21-12-5-2-6-13-21/h1-18,30H,19H2,(H,31,32)(H,33,34)
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18n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212882
PNG
(CHEMBL248120 | [2'-(5-ethyl-3,4-diphenyl-pyrazol-1...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(c1)C(O)C(O)=O)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-26-28(21-12-5-3-6-13-21)29(22-14-7-4-8-15-22)32-33(26)27-19-10-9-18-25(27)23-16-11-17-24(20-23)30(34)31(35)36/h3-20,30,34H,2H2,1H3,(H,35,36)
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28n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50346466
PNG
(2-(2'-(1,5-diphenyl-1H-pyrazol-3-yl)biphenyl-3-ylo...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C29H22N2O3/c32-29(33)20-34-24-15-9-12-22(18-24)25-16-7-8-17-26(25)27-19-28(21-10-3-1-4-11-21)31(30-27)23-13-5-2-6-14-23/h1-19H,20H2,(H,32,33)
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32n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212886
PNG
(CHEMBL247529 | [2'-(3-ethyl-4,5-diphenyl-furan-2-y...)
Show SMILES CCc1c(oc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C32H26O4/c1-2-26-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)36-32(26)28-19-10-9-18-27(28)24-16-11-17-25(20-24)35-21-29(33)34/h3-20H,2,21H2,1H3,(H,33,34)
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32n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212878
PNG
(CHEMBL246902 | [2'-(4,5-diphenyl-furan-2-yl)-biphe...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1cc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H22O4/c31-29(32)20-33-24-15-9-14-23(18-24)25-16-7-8-17-26(25)28-19-27(21-10-3-1-4-11-21)30(34-28)22-12-5-2-6-13-22/h1-19H,20H2,(H,31,32)
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36n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212885
PNG
(CHEMBL245282 | [2'-(1-methyl-4,5-diphenyl-1H-imida...)
Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1
Show InChI InChI=1S/C30H25N3O2/c1-33-29(22-13-6-3-7-14-22)28(21-11-4-2-5-12-21)32-30(33)26-18-9-8-17-25(26)23-15-10-16-24(19-23)31-20-27(34)35/h2-19,31H,20H2,1H3,(H,34,35)
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48n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50192465
PNG
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-methoxyacet...)
Show SMILES COC(C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2O5/c1-28-22(23(26)27)17-9-6-12-20(29-13-15-7-2-4-10-18(15)24)21(17)30-14-16-8-3-5-11-19(16)25/h2-12,22H,13-14H2,1H3,(H,26,27)
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50n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ap2


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50002838
PNG
(5-(2-(4,5-diphenyloxazol-2-yl)phenoxy)pentanoic ac...)
Show SMILES OC(=O)CCCCOc1ccccc1-c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H23NO4/c28-23(29)17-9-10-18-30-22-16-8-7-15-21(22)26-27-24(19-11-3-1-4-12-19)25(31-26)20-13-5-2-6-14-20/h1-8,11-16H,9-10,17-18H2,(H,28,29)
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58n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50029969
PNG
(CHEMBL126078 | [2'-(4,5-Diphenyl-oxazol-2-yl)-biph...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H21NO4/c31-26(32)19-33-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-30-27(20-10-3-1-4-11-20)28(34-29)21-12-5-2-6-13-21/h1-18H,19H2,(H,31,32)
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95n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212880
PNG
(CHEMBL245857 | [2'-(1-isobutyl-4,5-diphenyl-1H-imi...)
Show SMILES CC(C)Cn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1
Show InChI InChI=1S/C33H31N3O2/c1-23(2)22-36-32(25-14-7-4-8-15-25)31(24-12-5-3-6-13-24)35-33(36)29-19-10-9-18-28(29)26-16-11-17-27(20-26)34-21-30(37)38/h3-20,23,34H,21-22H2,1-2H3,(H,37,38)
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130n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
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 4 (FABP4)


(Homo sapiens (Human))
BDBM50212874
PNG
(CHEMBL248145 | [2'-(4,5-diphenyl-1H-imidazol-2-yl)...)
Show SMILES OC(=O)CNc1cccc(c1)-c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H23N3O2/c33-26(34)19-30-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-31-27(20-10-3-1-4-11-20)28(32-29)21-12-5-2-6-13-21/h1-18,30H,19H2,(H,31,32)(H,33,34)
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300n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50212875
PNG
(2'-(5-ethyl-3,4-diphenyl-pyrazol-1-yl)-biphenyl-3-...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(c1)C(O)=O)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H24N2O2/c1-2-26-28(21-12-5-3-6-13-21)29(22-14-7-4-8-15-22)31-32(26)27-19-10-9-18-25(27)23-16-11-17-24(20-23)30(33)34/h3-20H,2H2,1H3,(H,33,34)
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650n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
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 4 (FABP4)


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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1.00E+3n/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 4 (FABP4)


(Homo sapiens (Human))
BDBM50212872
PNG
(CHEMBL246062 | [2'-(1-carboxymethyl-4,5-diphenyl-1...)
Show SMILES OC(=O)CNc1cccc(c1)-c1ccccc1-c1nc(c(-c2ccccc2)n1CC(O)=O)-c1ccccc1
Show InChI InChI=1S/C31H25N3O4/c35-27(36)19-32-24-15-9-14-23(18-24)25-16-7-8-17-26(25)31-33-29(21-10-3-1-4-11-21)30(34(31)20-28(37)38)22-12-5-2-6-13-22/h1-18,32H,19-20H2,(H,35,36)(H,37,38)
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>2.00E+3n/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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50192464
PNG
(1-(2,3-bis(2-chlorobenzyloxy)phenyl)ethane-1,2-dio...)
Show SMILES OCC(O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2O4/c23-18-9-3-1-6-15(18)13-27-21-11-5-8-17(20(26)12-25)22(21)28-14-16-7-2-4-10-19(16)24/h1-11,20,25-26H,12-14H2
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to ap2


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50247996
PNG
(5-(2-(trifluoromethyl)benzyl)-5,6,7,8,9,10-hexahyd...)
Show SMILES OC(=O)c1cccc2c3CCCCCc3n(Cc3ccccc3C(F)(F)F)c12
Show InChI InChI=1S/C22H20F3NO2/c23-22(24,25)18-11-5-4-7-14(18)13-26-19-12-3-1-2-8-15(19)16-9-6-10-17(20(16)26)21(27)28/h4-7,9-11H,1-3,8,12-13H2,(H,27,28)
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n/an/a 49n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM212456
PNG
(US9278918, 46)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)cc(Cl)c1-c1ccccc1
Show InChI InChI=1S/C19H18Cl2N2O3/c20-13-10-14(21)16(12-6-2-1-3-7-12)15(11-13)22-18(26)23-19(17(24)25)8-4-5-9-19/h1-3,6-7,10-11H,4-5,8-9H2,(H,24,25)(H2,22,23,26)
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US Patent
n/an/a 50n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM212452
PNG
(US9278918, 42)
Show SMILES OC(=O)C1(CC1)NC(=O)Nc1cc(Cl)c(F)cc1-c1ccccc1
Show InChI InChI=1S/C17H14ClFN2O3/c18-12-9-14(20-16(24)21-17(6-7-17)15(22)23)11(8-13(12)19)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,22,23)(H2,20,21,24)
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n/an/a 60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50248245
PNG
(5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocycloh...)
Show SMILES NC(=O)c1cccc(Cn2c3CCCCCc3c3cccc(C(O)=O)c23)c1
Show InChI InChI=1S/C22H22N2O3/c23-21(25)15-7-4-6-14(12-15)13-24-19-11-3-1-2-8-16(19)17-9-5-10-18(20(17)24)22(26)27/h4-7,9-10,12H,1-3,8,11,13H2,(H2,23,25)(H,26,27)
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n/an/a 69n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM212455
PNG
(US9278918, 45)
Show SMILES OC(=O)C1(CC1)NC(=O)Nc1cc(Cl)cc(Cl)c1-c1ccccc1
Show InChI InChI=1S/C17H14Cl2N2O3/c18-11-8-12(19)14(10-4-2-1-3-5-10)13(9-11)20-16(24)21-17(6-7-17)15(22)23/h1-5,8-9H,6-7H2,(H,22,23)(H2,20,21,24)
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n/an/a 80n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50248191
PNG
(5-benzyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...)
Show SMILES OC(=O)c1cccc2c3CCCCCc3n(Cc3ccccc3)c12
Show InChI InChI=1S/C21H21NO2/c23-21(24)18-12-7-11-17-16-10-5-2-6-13-19(16)22(20(17)18)14-15-8-3-1-4-9-15/h1,3-4,7-9,11-12H,2,5-6,10,13-14H2,(H,23,24)
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n/an/a 96n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50248244
PNG
(5-(2-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocycloh...)
Show SMILES NC(=O)c1ccccc1Cn1c2CCCCCc2c2cccc(C(O)=O)c12
Show InChI InChI=1S/C22H22N2O3/c23-21(25)15-8-5-4-7-14(15)13-24-19-12-3-1-2-9-16(19)17-10-6-11-18(20(17)24)22(26)27/h4-8,10-11H,1-3,9,12-13H2,(H2,23,25)(H,26,27)
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n/an/a 98n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM212454
PNG
(US9278918, 44)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)c(F)cc1-c1ccccc1
Show InChI InChI=1S/C19H18ClFN2O3/c20-14-11-16(13(10-15(14)21)12-6-2-1-3-7-12)22-18(26)23-19(17(24)25)8-4-5-9-19/h1-3,6-7,10-11H,4-5,8-9H2,(H,24,25)(H2,22,23,26)
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n/an/a 100n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM212448
PNG
(US9278918, 34)
Show SMILES OC(=O)C1(CC1)NC(=O)Nc1cc(Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C17H15ClN2O3/c18-12-6-7-13(11-4-2-1-3-5-11)14(10-12)19-16(23)20-17(8-9-17)15(21)22/h1-7,10H,8-9H2,(H,21,22)(H2,19,20,23)
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n/an/a 140n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM212451
PNG
(US9278918, 41)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)ccc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H18ClFN2O3/c20-13-5-8-15(12-3-6-14(21)7-4-12)16(11-13)22-18(26)23-19(17(24)25)9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,24,25)(H2,22,23,26)
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n/an/a 140n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM212447
PNG
(US9278918, 33)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C19H19ClN2O3/c20-14-8-9-15(13-6-2-1-3-7-13)16(12-14)21-18(25)22-19(17(23)24)10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2,(H,23,24)(H2,21,22,25)
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n/an/a 150n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
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 4 (FABP4)


(Homo sapiens (Human))
BDBM212460
PNG
(US9278918, 50)
Show SMILES OC(=O)C1(CC1)NC(=O)Nc1ccc(Cl)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H14ClFN2O3/c18-11-3-6-14(13(9-11)10-1-4-12(19)5-2-10)20-16(24)21-17(7-8-17)15(22)23/h1-6,9H,7-8H2,(H,22,23)(H2,20,21,24)
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n/an/a 290n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
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