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Compile Data Set for Download or QSAR

Found 130 hits of ic50 data for polymerid = 50000452,50006046   
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)
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 adipocyte


(Homo sapiens)
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 adipocyte


(Homo sapiens)
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
3D
3D Structure (docked)
Fatty acid binding protein adipocyte


(Homo sapiens)
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 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)
BDBM50247992
PNG
(5-propyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...)
Show SMILES CCCn1c2CCCCCc2c2cccc(C(O)=O)c12
Show InChI InChI=1S/C17H21NO2/c1-2-11-18-15-10-5-3-4-7-12(15)13-8-6-9-14(16(13)18)17(19)20/h6,8-9H,2-5,7,10-11H2,1H3,(H,19,20)
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n/an/a 430n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
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 450n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50248196
PNG
(9-(3-methoxybenzyl)-2,3,4,9-tetrahydro-1H-carbazol...)
Show SMILES COc1cccc(Cn2c3CCCCc3c3cccc(C(O)=O)c23)c1
Show InChI InChI=1S/C21H21NO3/c1-25-15-7-4-6-14(12-15)13-22-19-11-3-2-8-16(19)17-9-5-10-18(20(17)22)21(23)24/h4-7,9-10,12H,2-3,8,11,13H2,1H3,(H,23,24)
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n/an/a 550n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50152851
PNG
(4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | 4-Carbazol-9-y...)
Show SMILES OC(=O)CCCn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19)
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n/an/a 570n/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 (crystal)
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50247992
PNG
(5-propyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...)
Show SMILES CCCn1c2CCCCCc2c2cccc(C(O)=O)c12
Show InChI InChI=1S/C17H21NO2/c1-2-11-18-15-10-5-3-4-7-12(15)13-8-6-9-14(16(13)18)17(19)20/h6,8-9H,2-5,7,10-11H2,1H3,(H,19,20)
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n/an/a 580n/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 adipocyte


(Homo sapiens)
BDBM50247987
PNG
(9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxy...)
Show SMILES OC(=O)c1cccc2c3CCCCc3n(Cc3ccccc3)c12
Show InChI InChI=1S/C20H19NO2/c22-20(23)17-11-6-10-16-15-9-4-5-12-18(15)21(19(16)17)13-14-7-2-1-3-8-14/h1-3,6-8,10-11H,4-5,9,12-13H2,(H,22,23)
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n/an/a 590n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
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 590n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50152880
PNG
(2-(4-Methoxy-benzylsulfanyl)-6-trifluoromethyl-pyr...)
Show SMILES COc1ccc(CSc2nc(cc(=O)[nH]2)C(F)(F)F)cc1
Show InChI InChI=1S/C13H11F3N2O2S/c1-20-9-4-2-8(3-5-9)7-21-12-17-10(13(14,15)16)6-11(19)18-12/h2-6H,7H2,1H3,(H,17,18,19)
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n/an/a 600n/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)
BDBM50248195
PNG
(9-(2-methoxybenzyl)-2,3,4,9-tetrahydro-1H-carbazol...)
Show SMILES COc1ccccc1Cn1c2CCCCc2c2cccc(C(O)=O)c12
Show InChI InChI=1S/C21H21NO3/c1-25-19-12-5-2-7-14(19)13-22-18-11-4-3-8-15(18)16-9-6-10-17(20(16)22)21(23)24/h2,5-7,9-10,12H,3-4,8,11,13H2,1H3,(H,23,24)
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n/an/a 600n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
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 650n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50247991
PNG
(9-propyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxy...)
Show SMILES CCCn1c2CCCCc2c2cccc(C(O)=O)c12
Show InChI InChI=1S/C16H19NO2/c1-2-10-17-14-9-4-3-6-11(14)12-7-5-8-13(15(12)17)16(18)19/h5,7-8H,2-4,6,9-10H2,1H3,(H,18,19)
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n/an/a 670n/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 adipocyte


(Homo sapiens)
BDBM50247993
PNG
(5-(2-fluorobenzyl)-5,6,7,8,9,10-hexahydrocyclohept...)
Show SMILES OC(=O)c1cccc2c3CCCCCc3n(Cc3ccccc3F)c12
Show InChI InChI=1S/C21H20FNO2/c22-18-11-5-4-7-14(18)13-23-19-12-3-1-2-8-15(19)16-9-6-10-17(20(16)23)21(24)25/h4-7,9-11H,1-3,8,12-13H2,(H,24,25)
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n/an/a 710n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50247994
PNG
(5-(3-fluorobenzyl)-5,6,7,8,9,10-hexahydrocyclohept...)
Show SMILES OC(=O)c1cccc2c3CCCCCc3n(Cc3cccc(F)c3)c12
Show InChI InChI=1S/C21H20FNO2/c22-15-7-4-6-14(12-15)13-23-19-11-3-1-2-8-16(19)17-9-5-10-18(20(17)23)21(24)25/h4-7,9-10,12H,1-3,8,11,13H2,(H,24,25)
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n/an/a 720n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50247991
PNG
(9-propyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxy...)
Show SMILES CCCn1c2CCCCc2c2cccc(C(O)=O)c12
Show InChI InChI=1S/C16H19NO2/c1-2-10-17-14-9-4-3-6-11(14)12-7-5-8-13(15(12)17)16(18)19/h5,7-8H,2-4,6,9-10H2,1H3,(H,18,19)
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n/an/a 730n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50247988
PNG
(9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-7-carboxy...)
Show SMILES OC(=O)c1ccc2c3CCCCc3n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C20H19NO2/c22-20(23)15-10-11-17-16-8-4-5-9-18(16)21(19(17)12-15)13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2,(H,22,23)
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n/an/a 750n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50247995
PNG
(5-(4-fluorobenzyl)-5,6,7,8,9,10-hexahydrocyclohept...)
Show SMILES OC(=O)c1cccc2c3CCCCCc3n(Cc3ccc(F)cc3)c12
Show InChI InChI=1S/C21H20FNO2/c22-15-11-9-14(10-12-15)13-23-19-8-3-1-2-5-16(19)17-6-4-7-18(20(17)23)21(24)25/h4,6-7,9-12H,1-3,5,8,13H2,(H,24,25)
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n/an/a 780n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50152858
PNG
(5-Carbazol-9-yl-pentanoic acid | CHEMBL184795)
Show SMILES OC(=O)CCCCn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C17H17NO2/c19-17(20)11-5-6-12-18-15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-4,7-10H,5-6,11-12H2,(H,19,20)
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n/an/a 800n/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)
BDBM50248240
PNG
(9-(4-fluorobenzyl)-2,3,4,9-tetrahydro-1H-carbazole...)
Show SMILES OC(=O)c1cccc2c3CCCCc3n(Cc3ccc(F)cc3)c12
Show InChI InChI=1S/C20H18FNO2/c21-14-10-8-13(9-11-14)12-22-18-7-2-1-4-15(18)16-5-3-6-17(19(16)22)20(23)24/h3,5-6,8-11H,1-2,4,7,12H2,(H,23,24)
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n/an/a 830n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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)
BDBM50247990
PNG
(4-benzyl-1,2,3,4-tetrahydrocyclopenta[b]indole-5-c...)
Show SMILES OC(=O)c1cccc2c3CCCc3n(Cc3ccccc3)c12
Show InChI InChI=1S/C19H17NO2/c21-19(22)16-10-4-9-15-14-8-5-11-17(14)20(18(15)16)12-13-6-2-1-3-7-13/h1-4,6-7,9-10H,5,8,11-12H2,(H,21,22)
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n/an/a 970n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
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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n/an/a 987n/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
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)
BDBM50152883
PNG
(2-(4-Hydroxy-6-trifluoromethyl-pyrimidin-2-ylsulfa...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c(SCC(=O)N2CCCCC2)n1
Show InChI InChI=1S/C12H14F3N3O2S/c13-12(14,15)8-6-9(19)17-11(16-8)21-7-10(20)18-4-2-1-3-5-18/h6H,1-5,7H2,(H,16,17,19)
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n/an/a 1.00E+3n/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
3D
3D Structure (docked)
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50319701
PNG
(2-(2-(3,5-dichlorophenylamino)-2-oxoethylthio)acet...)
Show SMILES OC(=O)CSCC(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C10H9Cl2NO3S/c11-6-1-7(12)3-8(2-6)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 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
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50248242
PNG
(5-(3-(trifluoromethyl)benzyl)-5,6,7,8,9,10-hexahyd...)
Show SMILES OC(=O)c1cccc2c3CCCCCc3n(Cc3cccc(c3)C(F)(F)F)c12
Show InChI InChI=1S/C22H20F3NO2/c23-22(24,25)15-7-4-6-14(12-15)13-26-19-11-3-1-2-8-16(19)17-9-5-10-18(20(17)26)21(27)28/h4-7,9-10,12H,1-3,8,11,13H2,(H,27,28)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50247970
PNG
(9-(4-methylbenzyl)-2,3,4,9-tetrahydro-1H-carbazole...)
Show SMILES Cc1ccc(Cn2c3CCCCc3c3cccc(C(O)=O)c23)cc1
Show InChI InChI=1S/C21H21NO2/c1-14-9-11-15(12-10-14)13-22-19-8-3-2-5-16(19)17-6-4-7-18(20(17)22)21(23)24/h4,6-7,9-12H,2-3,5,8,13H2,1H3,(H,23,24)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50248246
PNG
(5-(1-phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol...)
Show SMILES OC(=O)CC\C=C/c1nn(c2CCCc12)-c1ccccc1
Show InChI InChI=1S/C17H18N2O2/c20-17(21)12-5-4-10-15-14-9-6-11-16(14)19(18-15)13-7-2-1-3-8-13/h1-4,7-8,10H,5-6,9,11-12H2,(H,20,21)/b10-4-
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n/an/a 1.10E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50152857
PNG
(3-(Carbazole-9-sulfonyl)-thiophene-2-carboxylic ac...)
Show SMILES OC(=O)c1sccc1S(=O)(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C17H11NO4S2/c19-17(20)16-15(9-10-23-16)24(21,22)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18/h1-10H,(H,19,20)
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n/an/a 1.10E+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)
BDBM50152872
PNG
(3-(6-Methyl-indole-1-sulfonyl)-thiophene-2-carboxy...)
Show SMILES Cc1ccc2ccn(c2c1)S(=O)(=O)c1ccsc1C(O)=O
Show InChI InChI=1S/C14H11NO4S2/c1-9-2-3-10-4-6-15(11(10)8-9)21(18,19)12-5-7-20-13(12)14(16)17/h2-8H,1H3,(H,16,17)
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n/an/a 1.30E+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)
BDBM50152852
PNG
(3-(5-Bromo-indole-1-sulfonyl)-thiophene-2-carboxyl...)
Show SMILES OC(=O)c1sccc1S(=O)(=O)n1ccc2cc(Br)ccc12
Show InChI InChI=1S/C13H8BrNO4S2/c14-9-1-2-10-8(7-9)3-5-15(10)21(18,19)11-4-6-20-12(11)13(16)17/h1-7H,(H,16,17)
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n/an/a 1.30E+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)
BDBM50152871
PNG
(3-(3-Methyl-indole-1-sulfonyl)-thiophene-2-carboxy...)
Show SMILES Cc1cn(c2ccccc12)S(=O)(=O)c1ccsc1C(O)=O
Show InChI InChI=1S/C14H11NO4S2/c1-9-8-15(11-5-3-2-4-10(9)11)21(18,19)12-6-7-20-13(12)14(16)17/h2-8H,1H3,(H,16,17)
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n/an/a 1.50E+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)
BDBM50247968
PNG
(9-(3-(trifluoromethyl)benzyl)-2,3,4,9-tetrahydro-1...)
Show SMILES OC(=O)c1cccc2c3CCCCc3n(Cc3cccc(c3)C(F)(F)F)c12
Show InChI InChI=1S/C21H18F3NO2/c22-21(23,24)14-6-3-5-13(11-14)12-25-18-10-2-1-7-15(18)16-8-4-9-17(19(16)25)20(26)27/h3-6,8-9,11H,1-2,7,10,12H2,(H,26,27)
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n/an/a 1.66E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50247971
PNG
(9-(2-fluoro-6-(trifluoromethyl)benzyl)-2,3,4,9-tet...)
Show SMILES OC(=O)c1cccc2c3CCCCc3n(Cc3c(F)cccc3C(F)(F)F)c12
Show InChI InChI=1S/C21H17F4NO2/c22-17-9-4-8-16(21(23,24)25)15(17)11-26-18-10-2-1-5-12(18)13-6-3-7-14(19(13)26)20(27)28/h3-4,6-9H,1-2,5,10-11H2,(H,27,28)
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n/an/a 1.81E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50248243
PNG
(5-(4-(trifluoromethyl)benzyl)-5,6,7,8,9,10-hexahyd...)
Show SMILES OC(=O)c1cccc2c3CCCCCc3n(Cc3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C22H20F3NO2/c23-22(24,25)15-11-9-14(10-12-15)13-26-19-8-3-1-2-5-16(19)17-6-4-7-18(20(17)26)21(27)28/h4,6-7,9-12H,1-3,5,8,13H2,(H,27,28)
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n/an/a 2.03E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50247969
PNG
(9-(4-(trifluoromethyl)benzyl)-2,3,4,9-tetrahydro-1...)
Show SMILES OC(=O)c1cccc2c3CCCCc3n(Cc3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C21H18F3NO2/c22-21(23,24)14-10-8-13(9-11-14)12-25-18-7-2-1-4-15(18)16-5-3-6-17(19(16)25)20(26)27/h3,5-6,8-11H,1-2,4,7,12H2,(H,26,27)
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n/an/a 2.39E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50429939
PNG
(CHEMBL2334261)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H21ClN2O3/c26-19-10-6-11-20(16-19)28-23(18-8-2-1-3-9-18)17-22(27-28)21-12-4-5-13-24(21)31-15-7-14-25(29)30/h1-6,8-13,16-17H,7,14-15H2,(H,29,30)
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n/an/a 2.50E+3n/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
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50152865
PNG
(3-(6-Methoxy-indole-1-sulfonyl)-thiophene-2-carbox...)
Show SMILES COc1ccc2ccn(c2c1)S(=O)(=O)c1ccsc1C(O)=O
Show InChI InChI=1S/C14H11NO5S2/c1-20-10-3-2-9-4-6-15(11(9)8-10)22(18,19)12-5-7-21-13(12)14(16)17/h2-8H,1H3,(H,16,17)
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n/an/a 2.60E+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)
BDBM50152866
PNG
(3-(7-Methoxy-indole-1-sulfonyl)-thiophene-2-carbox...)
Show SMILES COc1cccc2ccn(c12)S(=O)(=O)c1ccsc1C(O)=O
Show InChI InChI=1S/C14H11NO5S2/c1-20-10-4-2-3-9-5-7-15(12(9)10)22(18,19)11-6-8-21-13(11)14(16)17/h2-8H,1H3,(H,16,17)
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n/an/a 2.60E+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)
BDBM50248237
PNG
(9-(4-methoxybenzyl)-2,3,4,9-tetrahydro-1H-carbazol...)
Show SMILES COc1ccc(Cn2c3CCCCc3c3cccc(C(O)=O)c23)cc1
Show InChI InChI=1S/C21H21NO3/c1-25-15-11-9-14(10-12-15)13-22-19-8-3-2-5-16(19)17-6-4-7-18(20(17)22)21(23)24/h4,6-7,9-12H,2-3,5,8,13H2,1H3,(H,23,24)
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n/an/a 2.68E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50152891
PNG
(2-(4-Chloro-benzylamino)-6-trifluoromethyl-pyrimid...)
Show SMILES FC(F)(F)c1cc(=O)[nH]c(NCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C12H9ClF3N3O/c13-8-3-1-7(2-4-8)6-17-11-18-9(12(14,15)16)5-10(20)19-11/h1-5H,6H2,(H2,17,18,19,20)
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n/an/a 2.90E+3n/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)
BDBM50429935
PNG
(CHEMBL2334251)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C25H22N2O3/c28-25(29)16-9-17-30-24-15-8-7-14-21(24)22-18-23(19-10-3-1-4-11-19)27(26-22)20-12-5-2-6-13-20/h1-8,10-15,18H,9,16-17H2,(H,28,29)
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n/an/a 3.02E+3n/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
Fatty acid binding protein adipocyte


(Homo sapiens)
BDBM50319700
PNG
(2-(2-(2-chloro-6-phenoxybenzylamino)-2-oxoethylthi...)
Show SMILES OC(=O)CSCC(=O)NCc1c(Cl)cccc1Oc1ccccc1
Show InChI InChI=1S/C17H16ClNO4S/c18-14-7-4-8-15(23-12-5-2-1-3-6-12)13(14)9-19-16(20)10-24-11-17(21)22/h1-8H,9-11H2,(H,19,20)(H,21,22)
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n/an/a 3.10E+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)
BDBM50248194
PNG
(9-benzyl-4-(hydroxyimino)-2,3,4,9-tetrahydro-1H-ca...)
Show SMILES OC(=O)c1cccc2c3C(CCCc3n(Cc3ccccc3)c12)N=O
Show InChI InChI=1S/C20H18N2O3/c23-20(24)15-9-4-8-14-18-16(21-25)10-5-11-17(18)22(19(14)15)12-13-6-2-1-3-7-13/h1-4,6-9,16H,5,10-12H2,(H,23,24)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


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


(Homo sapiens)
BDBM50152863
PNG
(3-(5-Fluoro-indole-1-sulfonyl)-thiophene-2-carboxy...)
Show SMILES OC(=O)c1sccc1S(=O)(=O)n1ccc2cc(F)ccc12
Show InChI InChI=1S/C13H8FNO4S2/c14-9-1-2-10-8(7-9)3-5-15(10)21(18,19)11-4-6-20-12(11)13(16)17/h1-7H,(H,16,17)
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n/an/a 3.50E+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)
BDBM50248192
PNG
(1-benzyl-2,3-dimethyl-1H-indole-7-carboxylic acid ...)
Show SMILES Cc1c(C)c2cccc(C(O)=O)c2n1Cc1ccccc1
Show InChI InChI=1S/C18H17NO2/c1-12-13(2)19(11-14-7-4-3-5-8-14)17-15(12)9-6-10-16(17)18(20)21/h3-10H,11H2,1-2H3,(H,20,21)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human A-FABP by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
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