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Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with all data for entry = 50042722   
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 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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein muscle


(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 695n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429933
PNG
(CHEMBL2334255)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C25H21BrN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/a 733n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429932
PNG
(CHEMBL2334256)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/a 733n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429942
PNG
(CHEMBL2334257)
Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1-c1ccccc1)-c1ccccc1OCCCC(O)=O
Show InChI InChI=1S/C28H28N2O3/c1-20(2)21-14-16-23(17-15-21)30-26(22-9-4-3-5-10-22)19-25(29-30)24-11-6-7-12-27(24)33-18-8-13-28(31)32/h3-7,9-12,14-17,19-20H,8,13,18H2,1-2H3,(H,31,32)
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n/an/a 787n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
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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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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429934
PNG
(CHEMBL2334254)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21FN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429940
PNG
(CHEMBL2334259)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C25H21ClN2O3/c26-20-12-5-6-13-22(20)28-23(18-9-2-1-3-10-18)17-21(27-28)19-11-4-7-14-24(19)31-16-8-15-25(29)30/h1-7,9-14,17H,8,15-16H2,(H,29,30)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429941
PNG
(CHEMBL2334258)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccccc1)-c1ccccc1OCCCC(O)=O
Show InChI InChI=1S/C26H24N2O4/c1-31-21-15-13-20(14-16-21)28-24(19-8-3-2-4-9-19)18-23(27-28)22-10-5-6-11-25(22)32-17-7-12-26(29)30/h2-6,8-11,13-16,18H,7,12,17H2,1H3,(H,29,30)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(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 2.01E+3n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429940
PNG
(CHEMBL2334259)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C25H21ClN2O3/c26-20-12-5-6-13-22(20)28-23(18-9-2-1-3-10-18)17-21(27-28)19-11-4-7-14-24(19)31-16-8-15-25(29)30/h1-7,9-14,17H,8,15-16H2,(H,29,30)
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n/an/a 4.27E+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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429932
PNG
(CHEMBL2334256)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/a 4.32E+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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429937
PNG
(CHEMBL2334243)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)C1CCCCC1
Show InChI InChI=1S/C25H28N2O3/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/h1,3-4,7-8,10-11,14-15,18,20H,2,5-6,9,12-13,16-17H2,(H,28,29)
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n/an/a 5.26E+3n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429947
PNG
(CHEMBL2334249)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccccc1)-c1ccccc1OCCCC(O)=O
Show InChI InChI=1S/C26H24N2O3/c1-19-13-15-20(16-14-19)24-18-23(27-28(24)21-8-3-2-4-9-21)22-10-5-6-11-25(22)31-17-7-12-26(29)30/h2-6,8-11,13-16,18H,7,12,17H2,1H3,(H,29,30)
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n/an/a 5.41E+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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429933
PNG
(CHEMBL2334255)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C25H21BrN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/a 5.64E+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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429938
PNG
(CHEMBL2334262)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)C1CCCC1
Show InChI InChI=1S/C24H26N2O3/c27-24(28)15-8-16-29-23-14-7-6-13-20(23)21-17-22(18-9-2-1-3-10-18)26(25-21)19-11-4-5-12-19/h1-3,6-7,9-10,13-14,17,19H,4-5,8,11-12,15-16H2,(H,27,28)
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n/an/a 6.03E+3n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429950
PNG
(CHEMBL2334246)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C25H21ClN2O3/c26-19-14-12-18(13-15-19)23-17-22(27-28(23)20-7-2-1-3-8-20)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/a 6.13E+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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429945
PNG
(CHEMBL2334252)
Show SMILES OC(=O)CCCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H24N2O3/c29-26(30)17-9-10-18-31-25-16-8-7-15-22(25)23-19-24(20-11-3-1-4-12-20)28(27-23)21-13-5-2-6-14-21/h1-8,11-16,19H,9-10,17-18H2,(H,29,30)
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n/an/a 6.39E+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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429936
PNG
(CHEMBL2334244)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)C1CCCCCC1
Show InChI InChI=1S/C26H30N2O3/c29-26(30)17-10-18-31-25-16-9-8-15-22(25)23-19-24(20-11-4-3-5-12-20)28(27-23)21-13-6-1-2-7-14-21/h3-5,8-9,11-12,15-16,19,21H,1-2,6-7,10,13-14,17-18H2,(H,29,30)
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n/an/a 6.47E+3n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429946
PNG
(CHEMBL2334250)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccc(Br)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C25H21BrN2O3/c26-19-14-12-18(13-15-19)23-17-22(27-28(23)20-7-2-1-3-8-20)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/a 9.51E+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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429934
PNG
(CHEMBL2334254)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21FN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/a 1.02E+4n/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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429942
PNG
(CHEMBL2334257)
Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1-c1ccccc1)-c1ccccc1OCCCC(O)=O
Show InChI InChI=1S/C28H28N2O3/c1-20(2)21-14-16-23(17-15-21)30-26(22-9-4-3-5-10-22)19-25(29-30)24-11-6-7-12-27(24)33-18-8-13-28(31)32/h3-7,9-12,14-17,19-20H,8,13,18H2,1-2H3,(H,31,32)
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n/an/a 1.03E+4n/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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429941
PNG
(CHEMBL2334258)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccccc1)-c1ccccc1OCCCC(O)=O
Show InChI InChI=1S/C26H24N2O4/c1-31-21-15-13-20(14-16-21)28-24(19-8-3-2-4-9-19)18-23(27-28)22-10-5-6-11-25(22)32-17-7-12-26(29)30/h2-6,8-11,13-16,18H,7,12,17H2,1H3,(H,29,30)
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n/an/a 1.36E+4n/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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(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 1.47E+4n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429936
PNG
(CHEMBL2334244)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)C1CCCCCC1
Show InChI InChI=1S/C26H30N2O3/c29-26(30)17-10-18-31-25-16-9-8-15-22(25)23-19-24(20-11-4-3-5-12-20)28(27-23)21-13-6-1-2-7-14-21/h3-5,8-9,11-12,15-16,19,21H,1-2,6-7,10,13-14,17-18H2,(H,29,30)
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n/an/a 1.55E+4n/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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429938
PNG
(CHEMBL2334262)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)C1CCCC1
Show InChI InChI=1S/C24H26N2O3/c27-24(28)15-8-16-29-23-14-7-6-13-20(23)21-17-22(18-9-2-1-3-10-18)26(25-21)19-11-4-5-12-19/h1-3,6-7,9-10,13-14,17,19H,4-5,8,11-12,15-16H2,(H,27,28)
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n/an/a 1.66E+4n/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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429950
PNG
(CHEMBL2334246)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C25H21ClN2O3/c26-19-14-12-18(13-15-19)23-17-22(27-28(23)20-7-2-1-3-8-20)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429943
PNG
(CHEMBL2334253)
Show SMILES OC(=O)CCCCOc1ccccc1-c1cc(-c2ccc(Br)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H23BrN2O3/c27-20-15-13-19(14-16-20)24-18-23(28-29(24)21-8-2-1-3-9-21)22-10-4-5-11-25(22)32-17-7-6-12-26(30)31/h1-5,8-11,13-16,18H,6-7,12,17H2,(H,30,31)
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n/an/a 2.23E+4n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429937
PNG
(CHEMBL2334243)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)C1CCCCC1
Show InChI InChI=1S/C25H28N2O3/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/h1,3-4,7-8,10-11,14-15,18,20H,2,5-6,9,12-13,16-17H2,(H,28,29)
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n/an/a 2.35E+4n/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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429948
PNG
(CHEMBL2334248)
Show SMILES OC(=O)CCCCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C28H27ClN2O3/c29-22-17-15-21(16-18-22)26-20-25(30-31(26)23-10-4-3-5-11-23)24-12-7-8-13-27(24)34-19-9-2-1-6-14-28(32)33/h3-5,7-8,10-13,15-18,20H,1-2,6,9,14,19H2,(H,32,33)
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n/an/a 3.10E+4n/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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429949
PNG
(CHEMBL2334247)
Show SMILES OC(=O)CCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H23ClN2O3/c27-20-15-13-19(14-16-20)24-18-23(28-29(24)21-8-2-1-3-9-21)22-10-4-5-11-25(22)32-17-7-6-12-26(30)31/h1-5,8-11,13-16,18H,6-7,12,17H2,(H,30,31)
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n/an/a 7.40E+4n/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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429943
PNG
(CHEMBL2334253)
Show SMILES OC(=O)CCCCOc1ccccc1-c1cc(-c2ccc(Br)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H23BrN2O3/c27-20-15-13-19(14-16-20)24-18-23(28-29(24)21-8-2-1-3-9-21)22-10-4-5-11-25(22)32-17-7-6-12-26(30)31/h1-5,8-11,13-16,18H,6-7,12,17H2,(H,30,31)
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n/an/a 8.60E+4n/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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429946
PNG
(CHEMBL2334250)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccc(Br)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C25H21BrN2O3/c26-19-14-12-18(13-15-19)23-17-22(27-28(23)20-7-2-1-3-8-20)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/a 2.24E+5n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429949
PNG
(CHEMBL2334247)
Show SMILES OC(=O)CCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H23ClN2O3/c27-20-15-13-19(14-16-20)24-18-23(28-29(24)21-8-2-1-3-9-21)22-10-4-5-11-25(22)32-17-7-6-12-26(30)31/h1-5,8-11,13-16,18H,6-7,12,17H2,(H,30,31)
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n/an/a 2.43E+5n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429944
PNG
(CHEMBL2331584)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccccc1)-c1ccccc1OCCCCC(O)=O
Show InChI InChI=1S/C27H26N2O3/c1-20-14-16-21(17-15-20)25-19-24(28-29(25)22-9-3-2-4-10-22)23-11-5-6-12-26(23)32-18-8-7-13-27(30)31/h2-6,9-12,14-17,19H,7-8,13,18H2,1H3,(H,30,31)
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n/an/a 2.59E+5n/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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429952
PNG
(CHEMBL2334260)
Show SMILES COc1ccccc1-n1nc(cc1-c1ccccc1)-c1ccccc1OCCCC(O)=O
Show InChI InChI=1S/C26H24N2O4/c1-31-25-15-8-6-13-22(25)28-23(19-10-3-2-4-11-19)18-21(27-28)20-12-5-7-14-24(20)32-17-9-16-26(29)30/h2-8,10-15,18H,9,16-17H2,1H3,(H,29,30)
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n/an/a 5.05E+5n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429947
PNG
(CHEMBL2334249)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccccc1)-c1ccccc1OCCCC(O)=O
Show InChI InChI=1S/C26H24N2O3/c1-19-13-15-20(16-14-19)24-18-23(27-28(24)21-8-3-2-4-9-21)22-10-5-6-11-25(22)31-17-7-12-26(29)30/h2-6,8-11,13-16,18H,7,12,17H2,1H3,(H,29,30)
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n/an/a 4.73E+6n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429945
PNG
(CHEMBL2334252)
Show SMILES OC(=O)CCCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C26H24N2O3/c29-26(30)17-9-10-18-31-25-16-8-7-15-22(25)23-19-24(20-11-3-1-4-12-20)28(27-23)21-13-5-2-6-14-21/h1-8,11-16,19H,9-10,17-18H2,(H,29,30)
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n/an/a>1.00E+7n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429944
PNG
(CHEMBL2331584)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccccc1)-c1ccccc1OCCCCC(O)=O
Show InChI InChI=1S/C27H26N2O3/c1-20-14-16-21(17-15-20)25-19-24(28-29(25)22-9-3-2-4-10-22)23-11-5-6-12-26(23)32-18-8-7-13-27(30)31/h2-6,9-12,14-17,19H,7-8,13,18H2,1H3,(H,30,31)
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n/an/a>1.00E+7n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50429951
PNG
(CHEMBL2334245)
Show SMILES OC(=O)COc1ccccc1-c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H17ClN2O3/c24-17-12-10-16(11-13-17)21-14-20(25-26(21)18-6-2-1-3-7-18)19-8-4-5-9-22(19)29-15-23(27)28/h1-14H,15H2,(H,27,28)
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n/an/a>1.00E+7n/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


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429951
PNG
(CHEMBL2334245)
Show SMILES OC(=O)COc1ccccc1-c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C23H17ClN2O3/c24-17-12-10-16(11-13-17)21-14-20(25-26(21)18-6-2-1-3-7-18)19-8-4-5-9-22(19)29-15-23(27)28/h1-14H,15H2,(H,27,28)
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n/an/a>1.00E+7n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(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>1.00E+7n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429948
PNG
(CHEMBL2334248)
Show SMILES OC(=O)CCCCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C28H27ClN2O3/c29-22-17-15-21(16-18-22)26-20-25(30-31(26)23-10-4-3-5-11-23)24-12-7-8-13-27(24)34-19-9-2-1-6-14-28(32)33/h3-5,7-8,10-13,15-18,20H,1-2,6,9,14,19H2,(H,32,33)
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n/an/a>1.00E+7n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(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/an/a 1.63E+4n/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Binding affinity to human FABP3 by surface plasmon resonance assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429934
PNG
(CHEMBL2334254)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21FN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/an/a 5.26E+3n/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Binding affinity to human FABP3 by surface plasmon resonance assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429933
PNG
(CHEMBL2334255)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C25H21BrN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/an/a 3.30E+3n/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Binding affinity to human FABP3 by surface plasmon resonance assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50429932
PNG
(CHEMBL2334256)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/an/a 2.17E+3n/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Binding affinity to human FABP3 by surface plasmon resonance assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair