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Compile Data Set for Download or QSAR

Found 98 hits from Bristol Myers-Squibb Pharmaceutical Research Institute   
Target/Host
(Institution)
LigandTarget/Host
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 5 (FABP5)


(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 eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
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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4n/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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
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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32n/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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
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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110n/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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein muscle


(Homo sapiens)
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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220n/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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(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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240n/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 eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(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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248n/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 eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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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250n/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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(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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290n/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 eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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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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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(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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350n/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 eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein muscle


(Homo sapiens)
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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360n/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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(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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550n/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 eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(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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802n/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 eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(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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830n/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 eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(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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830n/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 eFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
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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>1.00E+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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
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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>1.00E+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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
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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>1.00E+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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
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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>1.00E+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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
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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>1.00E+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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
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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>1.00E+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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
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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>1.00E+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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
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


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid binding protein muscle


(Homo sapiens)
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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>1.00E+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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
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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>1.00E+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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
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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>1.00E+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 mFABP by fluorescence based-assay


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
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