Found 131 hits of ki data for polymerid = 50006046,8873 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | CHEMBL5272139
| PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL UniChem
| | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212876
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50212873
(((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) | PDB
UniProtKB/SwissProt
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Patents
| PDB
| <2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50192462
((S)-2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-hydroxy...)Show SMILES O[C@H](C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl Show InChI InChI=1S/C22H18Cl2O5/c23-17-9-3-1-6-14(17)12-28-19-11-5-8-16(20(25)22(26)27)21(19)29-13-15-7-2-4-10-18(15)24/h1-11,20,25H,12-13H2,(H,26,27)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL KEGG PC cid PC sid UniChem
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Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to ap2 |
J Med Chem 49: 5013-7 (2006)
Article DOI: 10.1021/jm060360i BindingDB Entry DOI: 10.7270/Q2TQ6157 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212885
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50212884
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50212877
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50212886
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50346469
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50029969
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50346468
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50197090
(CHEMBL3970105)Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=S)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4OS/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(29)28-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212873
(((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) | PDB
UniProtKB/SwissProt
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Patents
| PDB Article PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212883
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50212879
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50197093
(CHEMBL3959018)Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27) | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197092
(CHEMBL3947458)Show InChI InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197092
(CHEMBL3947458)Show InChI InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212887
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50212881
(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) | PDB
UniProtKB/SwissProt
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50346467
(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) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50212877
(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) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50197087
(CHEMBL3950316)Show SMILES Cc1cc(Cl)cc2c(-c3ccccc3)c(C(O)=O)c(nc12)N1CCCCC1 Show InChI InChI=1S/C22H21ClN2O2/c1-14-12-16(23)13-17-18(15-8-4-2-5-9-15)19(22(26)27)21(24-20(14)17)25-10-6-3-7-11-25/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,26,27) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212873
(((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) | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197088
(CHEMBL3979347)Show SMILES CC(C)c1cccc(c1)-c1c(C(O)=O)c(nc2ccc(Cl)cc12)N(C)C Show InChI InChI=1S/C21H21ClN2O2/c1-12(2)13-6-5-7-14(10-13)18-16-11-15(22)8-9-17(16)23-20(24(3)4)19(18)21(25)26/h5-12H,1-4H3,(H,25,26) | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197086
(CHEMBL3971182)Show SMILES OC(=O)c1c(nc2c(Cl)cc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27) | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50192463
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)acetic acid | ...)Show InChI InChI=1S/C22H18Cl2O4/c23-18-9-3-1-6-16(18)13-27-20-11-5-8-15(12-21(25)26)22(20)28-14-17-7-2-4-10-19(17)24/h1-11H,12-14H2,(H,25,26) | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to ap2 |
J Med Chem 49: 5013-7 (2006)
Article DOI: 10.1021/jm060360i BindingDB Entry DOI: 10.7270/Q2TQ6157 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212874
(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) | PDB
UniProtKB/SwissProt
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50197089
(CHEMBL3889982)Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=O)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4O2/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(28)29-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,28) | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197094
(CHEMBL3941588)Show SMILES OC(=O)c1c(nc2ccc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26) | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197094
(CHEMBL3941588)Show SMILES OC(=O)c1c(nc2ccc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26) | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212882
(CHEMBL248120 | [2'-(5-ethyl-3,4-diphenyl-pyrazol-1...)Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(c1)C(O)C(O)=O)-c1ccccc1)-c1ccccc1 |w:19.22| 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) | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Rattus norvegicus) | BDBM50212873
(((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) | PDB MMDB
Reactome pathway
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of rat ap2 by fluorescent 1,8-anilino-8-naphthalene sulfonate assay |
Eur J Med Chem 52: 70-81 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.006 BindingDB Entry DOI: 10.7270/Q26H4JD5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50177675
(CHEMBL3814634)Show SMILES CC(C)Oc1cccc(c1)-c1c(-c2c(C)n[nH]c2C)c2cc(ccc2n1CCC(O)=O)C1CC1 |(9.68,3.39,;8.99,2.37,;9.53,1.26,;7.45,2.48,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;4.2,.03,;5.05,1.3,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.66,-3.26,;4.7,-2.6,;3.55,-4.79,;2.05,-5.16,;1.24,-3.85,;.01,-3.75,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.23,4.48,;3.41,5.4,;5.43,4.73,;-3.71,-1.53,;-4.4,-2.82,;-5.17,-1.49,)| Show InChI InChI=1S/C28H31N3O3/c1-16(2)34-22-7-5-6-21(14-22)28-27(26-17(3)29-30-18(26)4)23-15-20(19-8-9-19)10-11-24(23)31(28)13-12-25(32)33/h5-7,10-11,14-16,19H,8-9,12-13H2,1-4H3,(H,29,30)(H,32,33) | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Co., Inc.
Curated by ChEMBL
| Assay Description Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay |
ACS Med Chem Lett 7: 435-9 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00040 BindingDB Entry DOI: 10.7270/Q2RX9F0J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50177675
(CHEMBL3814634)Show SMILES CC(C)Oc1cccc(c1)-c1c(-c2c(C)n[nH]c2C)c2cc(ccc2n1CCC(O)=O)C1CC1 |(9.68,3.39,;8.99,2.37,;9.53,1.26,;7.45,2.48,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;4.2,.03,;5.05,1.3,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.66,-3.26,;4.7,-2.6,;3.55,-4.79,;2.05,-5.16,;1.24,-3.85,;.01,-3.75,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.23,4.48,;3.41,5.4,;5.43,4.73,;-3.71,-1.53,;-4.4,-2.82,;-5.17,-1.49,)| Show InChI InChI=1S/C28H31N3O3/c1-16(2)34-22-7-5-6-21(14-22)28-27(26-17(3)29-30-18(26)4)23-15-20(19-8-9-19)10-11-24(23)31(28)13-12-25(32)33/h5-7,10-11,14-16,19H,8-9,12-13H2,1-4H3,(H,29,30)(H,32,33) | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | CHEMBL5287034
| PDB
UniProtKB/SwissProt
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| | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212886
(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) | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50346466
(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) | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Rattus norvegicus) | BDBM50381857
(CHEMBL2023268)Show InChI InChI=1S/C18H14FNO2/c19-16-7-3-1-5-14(16)12-20-11-13(9-10-18(21)22)15-6-2-4-8-17(15)20/h1-11H,12H2,(H,21,22)/b10-9+ | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of rat ap2 by fluorescent 1,8-anilino-8-naphthalene sulfonate assay |
Eur J Med Chem 52: 70-81 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.006 BindingDB Entry DOI: 10.7270/Q26H4JD5 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50212878
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50212885
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50192465
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-methoxyacet...)Show SMILES COC(C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H20Cl2O5/c1-28-22(23(26)27)17-9-6-12-20(29-13-15-7-2-4-10-18(15)24)21(17)30-14-16-8-3-5-11-19(16)25/h2-12,22H,13-14H2,1H3,(H,26,27) | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to ap2 |
J Med Chem 49: 5013-7 (2006)
Article DOI: 10.1021/jm060360i BindingDB Entry DOI: 10.7270/Q2TQ6157 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50002838
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50197093
(CHEMBL3959018)Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27) | PDB
UniProtKB/SwissProt
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| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Displacement of 1,8-ANS from FABP4 (unknown origin) after 3 mins by fluorescence assay |
Eur J Med Chem 154: 44-59 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.007 BindingDB Entry DOI: 10.7270/Q2BR8VWB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50029969
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Patents
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| Article PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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, adipocyte
(Homo sapiens (Human)) | BDBM50177674
(CHEMBL3813892)Show SMILES COc1cnccc1-c1c(-c2ccccc2)n(CCC(O)=O)c2ccc(cc12)C1CC1 |(6.01,-2.39,;4.83,-2.05,;3.72,-3.12,;4.09,-4.62,;2.98,-5.68,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.23,4.48,;3.41,5.4,;5.43,4.73,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;-3.71,-1.53,;-4.4,-2.82,;-5.17,-1.49,)| Show InChI InChI=1S/C26H24N2O3/c1-31-23-16-27-13-11-20(23)25-21-15-19(17-7-8-17)9-10-22(21)28(14-12-24(29)30)26(25)18-5-3-2-4-6-18/h2-6,9-11,13,15-17H,7-8,12,14H2,1H3,(H,29,30) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid PDB UniChem
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50177674
(CHEMBL3813892)Show SMILES COc1cnccc1-c1c(-c2ccccc2)n(CCC(O)=O)c2ccc(cc12)C1CC1 |(6.01,-2.39,;4.83,-2.05,;3.72,-3.12,;4.09,-4.62,;2.98,-5.68,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.23,4.48,;3.41,5.4,;5.43,4.73,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;-3.71,-1.53,;-4.4,-2.82,;-5.17,-1.49,)| Show InChI InChI=1S/C26H24N2O3/c1-31-23-16-27-13-11-20(23)25-21-15-19(17-7-8-17)9-10-22(21)28(14-12-24(29)30)26(25)18-5-3-2-4-6-18/h2-6,9-11,13,15-17H,7-8,12,14H2,1H3,(H,29,30) | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Co., Inc.
Curated by ChEMBL
| Assay Description Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay |
ACS Med Chem Lett 7: 435-9 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00040 BindingDB Entry DOI: 10.7270/Q2RX9F0J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197091
(CHEMBL1738980)Show InChI InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21) | PDB
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Similars
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197091
(CHEMBL1738980)Show InChI InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21) | PDB
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CHEMBL PC cid PC sid PDB UniChem
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| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |