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PubMed code 21481589

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
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, adipocyte


(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

Bioorg Med Chem Lett 21: 2949-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.063
BindingDB Entry DOI: 10.7270/Q2TM7BGB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(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

Bioorg Med Chem Lett 21: 2949-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.063
BindingDB Entry DOI: 10.7270/Q2TM7BGB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(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

Bioorg Med Chem Lett 21: 2949-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.063
BindingDB Entry DOI: 10.7270/Q2TM7BGB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(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

Bioorg Med Chem Lett 21: 2949-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.063
BindingDB Entry DOI: 10.7270/Q2TM7BGB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(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

Bioorg Med Chem Lett 21: 2949-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.063
BindingDB Entry DOI: 10.7270/Q2TM7BGB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(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

Bioorg Med Chem Lett 21: 2949-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.063
BindingDB Entry DOI: 10.7270/Q2TM7BGB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))		BDBM50346470
PNG
(2-(2'-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyr...)
Show SMILES CC(Oc1cccc(c1)-c1ccccc1-c1cc(-c2cccs2)n(n1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C28H21ClN2O3S/c1-18(28(32)33)34-22-7-4-6-19(16-22)23-8-2-3-9-24(23)25-17-26(27-10-5-15-35-27)31(30-25)21-13-11-20(29)12-14-21/h2-18H,1H3,(H,32,33)
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 2.27E+3n/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 h-FABP by fluorescence spectrophotometry

Bioorg Med Chem Lett 21: 2949-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.063
BindingDB Entry DOI: 10.7270/Q2TM7BGB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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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 3.47E+3n/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 h-FABP by fluorescence spectrophotometry

Bioorg Med Chem Lett 21: 2949-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.063
BindingDB Entry DOI: 10.7270/Q2TM7BGB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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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 3.72E+3n/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 h-FABP by fluorescence spectrophotometry

Bioorg Med Chem Lett 21: 2949-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.063
BindingDB Entry DOI: 10.7270/Q2TM7BGB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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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 4.13E+3n/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 h-FABP by fluorescence spectrophotometry

Bioorg Med Chem Lett 21: 2949-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.063
BindingDB Entry DOI: 10.7270/Q2TM7BGB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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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 4.24E+3n/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 h-FABP by fluorescence spectrophotometry

Bioorg Med Chem Lett 21: 2949-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.063
BindingDB Entry DOI: 10.7270/Q2TM7BGB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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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 5.24E+3n/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 h-FABP by fluorescence spectrophotometry

Bioorg Med Chem Lett 21: 2949-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.063
BindingDB Entry DOI: 10.7270/Q2TM7BGB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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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 1.70E+4n/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 h-FABP by fluorescence spectrophotometry

Bioorg Med Chem Lett 21: 2949-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.063
BindingDB Entry DOI: 10.7270/Q2TM7BGB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))		BDBM50346471
PNG
(2-(2'-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyr...)
Show SMILES CC(C)(Oc1cccc(c1)-c1ccccc1-c1cc(-c2cccs2)n(n1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C29H23ClN2O3S/c1-29(2,28(33)34)35-22-8-5-7-19(17-22)23-9-3-4-10-24(23)25-18-26(27-11-6-16-36-27)32(31-25)21-14-12-20(30)13-15-21/h3-18H,1-2H3,(H,33,34)
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>5.00E+4n/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 h-FABP by fluorescence spectrophotometry

Bioorg Med Chem Lett 21: 2949-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.063
BindingDB Entry DOI: 10.7270/Q2TM7BGB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%