Found 653 hits Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein 5' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Fatty acid-binding protein 5
(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
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| 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 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
(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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| CHEMBL
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PC sid
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| Article
PubMed
| 3 | 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 human kFABP |
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 5
(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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| 9 | 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 human kFABP |
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 5
(Homo sapiens (Human)) | BDBM489718
(US10968163, Compound 3l-D)Show SMILES OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)O[C@H]1CCCCC1c1ccccc1)c1ccccc1 |r,wU:3.2,4.31,wD:6.7,5.14,16.17,(4.06,-19.41,;2.57,-19.01,;2.17,-17.52,;1.48,-20.1,;1.48,-21.64,;-.06,-21.64,;-.06,-20.1,;-1.15,-19.01,;-.75,-17.52,;-1.84,-16.43,;-3.32,-16.83,;-3.72,-18.32,;-2.63,-19.41,;-1.15,-22.73,;-2.48,-21.96,;-1.15,-24.27,;-2.48,-25.04,;-3.81,-24.27,;-5.15,-25.04,;-5.15,-26.58,;-3.81,-27.35,;-2.48,-26.58,;-1.15,-27.35,;-1.15,-28.89,;.19,-29.66,;1.52,-28.89,;1.52,-27.35,;.19,-26.58,;2.57,-22.73,;2.17,-24.22,;3.26,-25.3,;4.75,-24.91,;5.15,-23.42,;4.06,-22.33,)| Show InChI InChI=1S/C30H30O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-17,23-28H,10-11,18-19H2,(H,31,32)/t23?,24-,25+,26+,27-,28-/m0/s1 | PDB
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| US Patent
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM489717
(US10968163, Compound 3l-C)Show SMILES OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1 |r,wU:3.2,4.31,16.17,wD:6.7,5.14,21.24,(4.06,-4.33,;2.57,-3.93,;2.17,-2.45,;1.48,-5.02,;1.48,-6.56,;-.06,-6.56,;-.06,-5.02,;-1.15,-3.93,;-.75,-2.45,;-1.84,-1.36,;-3.32,-1.76,;-3.72,-3.24,;-2.63,-4.33,;-1.15,-7.65,;-2.48,-6.88,;-1.15,-9.19,;-2.48,-9.96,;-3.81,-9.19,;-5.15,-9.96,;-5.15,-11.5,;-3.81,-12.27,;-2.48,-11.5,;-1.15,-12.27,;-1.15,-13.81,;.19,-14.58,;1.52,-13.81,;1.52,-12.27,;.19,-11.5,;2.57,-7.65,;2.17,-9.14,;3.26,-10.23,;4.75,-9.83,;5.15,-8.34,;4.06,-7.25,)| Show InChI InChI=1S/C30H30O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-17,23-28H,10-11,18-19H2,(H,31,32)/t23-,24+,25+,26+,27-,28-/m0/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM489714
(US10968163, Compound 3l)Show SMILES [O-]C(=O)C1C(C(C1c1ccccc1)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1 |wU:16.17,wD:21.24,(-8.34,-3.1,;-7.57,-1.77,;-8.34,-.43,;-6.03,-1.77,;-4.94,-.68,;-3.86,-1.77,;-4.94,-2.85,;-4.94,-4.39,;-3.61,-5.16,;-3.61,-6.7,;-4.94,-7.47,;-6.28,-6.7,;-6.28,-5.16,;-2.32,-1.77,;-1.55,-3.1,;-1.55,-.43,;-.01,-.43,;.76,-1.77,;2.3,-1.77,;3.07,-.43,;2.3,.9,;.76,.9,;-.01,2.24,;-1.55,2.24,;-2.32,3.57,;-1.55,4.9,;-.01,4.9,;.76,3.57,;-4.94,.86,;-6.28,1.63,;-6.28,3.17,;-4.94,3.94,;-3.61,3.17,;-3.61,1.63,)| Show InChI InChI=1S/C30H30O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-17,23-28H,10-11,18-19H2,(H,31,32)/p-1/t23-,24+,25?,26?,27?,28?/m0/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50468465
(CHEMBL4288603 | US10968163, Compound 3l-A)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,16.17,wD:3.2,6.7,21.24,(26.3,-49.55,;24.81,-49.15,;24.41,-47.67,;23.72,-50.24,;22.18,-50.24,;22.18,-51.78,;23.72,-51.78,;24.81,-52.87,;24.41,-54.36,;25.49,-55.45,;26.98,-55.05,;27.38,-53.55,;26.29,-52.47,;21.09,-52.87,;19.61,-52.47,;21.49,-54.36,;20.4,-55.45,;18.91,-55.05,;17.83,-56.14,;18.22,-57.63,;19.71,-58.03,;20.8,-56.94,;22.29,-57.34,;22.68,-58.83,;24.17,-59.23,;25.26,-58.14,;24.86,-56.65,;23.37,-56.25,;21.09,-49.15,;21.5,-47.67,;20.41,-46.59,;18.92,-46.98,;18.52,-48.48,;19.61,-49.56,)| Show InChI InChI=1S/C30H30O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-17,23-28H,10-11,18-19H2,(H,31,32)/t23-,24+,25-,26-,27-,28-/m0/s1 | PDB
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| US Patent
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM489716
(US10968163, Compound 3l-B)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)O[C@H]1CCCCC1c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,wD:3.2,6.7,16.17,(4.06,11.44,;2.57,11.84,;2.17,13.32,;1.48,10.75,;-.06,10.75,;-.06,9.21,;1.48,9.21,;2.57,8.12,;2.17,6.63,;3.26,5.54,;4.75,5.94,;5.15,7.43,;4.06,8.52,;-1.15,8.12,;-2.48,8.89,;-1.15,6.58,;-2.48,5.81,;-3.81,6.58,;-5.15,5.81,;-5.15,4.27,;-3.81,3.5,;-2.48,4.27,;-1.15,3.5,;-1.15,1.96,;.19,1.19,;1.52,1.96,;1.52,3.5,;.19,4.27,;-1.15,11.84,;-.75,13.32,;-1.84,14.41,;-3.32,14.01,;-3.72,12.53,;-2.63,11.44,)| Show InChI InChI=1S/C30H30O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-17,23-28H,10-11,18-19H2,(H,31,32)/t23?,24-,25-,26-,27-,28-/m0/s1 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(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
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| 33 | 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 human kFABP |
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 5
(Homo sapiens (Human)) | BDBM50468446
(CHEMBL4292323 | US10968163, Compound 4k)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Cl)C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1Cl |r,wU:4.35,5.15,wD:3.2,6.7,(61.87,-38.23,;60.38,-37.83,;59.98,-36.34,;59.29,-38.92,;57.75,-38.92,;57.75,-40.46,;59.29,-40.46,;60.38,-41.55,;59.98,-43.04,;61.06,-44.13,;62.56,-43.73,;62.95,-42.24,;61.86,-41.15,;62.25,-39.66,;56.66,-41.55,;55.17,-41.15,;57.06,-43.04,;55.97,-44.13,;56.37,-45.62,;57.81,-46.17,;59.17,-45.48,;60.46,-46.3,;60.38,-47.85,;59.02,-48.54,;57.73,-47.71,;56.24,-48.11,;55.55,-49.47,;54.03,-49.56,;53.18,-48.27,;53.88,-46.9,;55.41,-46.82,;56.66,-37.83,;55.18,-38.24,;54.09,-37.16,;54.48,-35.66,;55.97,-35.26,;57.06,-36.35,;58.55,-35.96,)| Show InChI InChI=1S/C32H24Cl2O4/c33-25-15-7-5-13-22(25)27-29(31(35)36)28(23-14-6-8-16-26(23)34)30(27)32(37)38-17-24-20-11-3-1-9-18(20)19-10-2-4-12-21(19)24/h1-16,24,27-30H,17H2,(H,35,36)/t27-,28-,29-,30-/m0/s1 | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50468443
(CHEMBL4287414 | US10968163, Compound 4b | US202303...)Show SMILES COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)Oc1cccc2ccccc12)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.37,10.28,(19.81,-24.23,;21.3,-23.82,;21.69,-22.33,;20.6,-21.25,;21,-19.75,;22.48,-19.36,;23.57,-20.44,;23.17,-21.93,;24.26,-23.01,;25.8,-23.01,;25.8,-24.55,;24.26,-24.55,;23.17,-25.64,;21.68,-25.25,;23.57,-27.13,;22.48,-28.22,;20.99,-27.81,;19.91,-28.9,;20.3,-30.39,;21.8,-30.78,;22.2,-32.25,;23.68,-32.65,;24.76,-31.55,;24.35,-30.08,;22.88,-29.7,;26.89,-25.64,;26.48,-27.13,;27.57,-28.22,;29.06,-27.82,;29.46,-26.33,;28.37,-25.24,;28.76,-23.75,;30.25,-23.35,;26.89,-21.93,;28.38,-22.32,;26.49,-20.44,)| Show InChI InChI=1S/C30H26O6/c1-34-22-15-7-5-13-20(22)25-27(29(31)32)26(21-14-6-8-16-23(21)35-2)28(25)30(33)36-24-17-9-11-18-10-3-4-12-19(18)24/h3-17,25-28H,1-2H3,(H,31,32)/t25-,26-,27-,28-/m0/s1 | PDB
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The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM489733
(US10968163, Compound 4e)Show SMILES COc1ccccc1C1C(C(C1C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1OC)C([O-])=O |wU:15.16,wD:20.23,(-8.95,1.63,;-7.61,.86,;-6.28,1.63,;-6.28,3.17,;-4.94,3.94,;-3.61,3.17,;-3.61,1.63,;-4.94,.86,;-4.94,-.68,;-6.03,-1.77,;-4.94,-2.85,;-3.86,-1.77,;-2.32,-1.77,;-1.55,-3.1,;-1.55,-.43,;-.01,-.43,;.76,-1.77,;2.3,-1.77,;3.07,-.43,;2.3,.9,;.76,.9,;-.01,2.24,;-1.55,2.24,;-2.32,3.57,;-1.55,4.9,;-.01,4.9,;.76,3.57,;-4.94,-4.39,;-6.28,-5.16,;-6.28,-6.7,;-4.94,-7.47,;-3.61,-6.7,;-3.61,-5.16,;-2.28,-4.39,;-.94,-5.16,;-7.57,-1.77,;-8.34,-3.1,;-8.34,-.43,)| Show InChI InChI=1S/C32H34O6/c1-36-24-17-9-7-15-22(24)27-29(31(33)34)28(23-16-8-10-18-25(23)37-2)30(27)32(35)38-26-19-11-6-14-21(26)20-12-4-3-5-13-20/h3-5,7-10,12-13,15-18,21,26-30H,6,11,14,19H2,1-2H3,(H,33,34)/p-1/t21-,26+,27?,28?,29?,30?/m0/s1 | PDB
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The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50468462
(CHEMBL4287117 | US10968163, Compound 3g | US202303...)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccccc1-c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,wD:3.2,6.7,(10.35,-31.48,;8.87,-31.08,;8.47,-29.59,;7.78,-32.17,;6.24,-32.17,;6.24,-33.71,;7.78,-33.71,;8.87,-34.8,;8.46,-36.29,;9.55,-37.37,;11.04,-36.98,;11.44,-35.48,;10.34,-34.4,;5.15,-34.8,;3.66,-34.4,;5.55,-36.29,;4.46,-37.37,;2.97,-36.97,;1.88,-38.06,;2.28,-39.55,;3.78,-39.94,;4.86,-38.85,;6.35,-39.24,;6.75,-40.73,;8.23,-41.12,;9.32,-40.03,;8.91,-38.54,;7.42,-38.15,;5.15,-31.08,;5.55,-29.6,;4.46,-28.51,;2.97,-28.91,;2.58,-30.41,;3.67,-31.49,)| Show InChI InChI=1S/C30H24O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-19,25-28H,(H,31,32)/t25-,26-,27-,28-/m0/s1 | PDB
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(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
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F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b... |
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 5
(Homo sapiens (Human)) | BDBM489698
(US10968163, Compound 3 | US10968163, Compound 3-A)Show SMILES [O-]C(=O)C1C(C(C1c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 |(1.55,-7.27,;2.32,-5.93,;1.55,-4.6,;3.86,-5.93,;4.94,-4.85,;6.03,-5.93,;4.94,-7.02,;4.94,-8.56,;6.28,-9.33,;6.28,-10.87,;4.94,-11.64,;3.61,-10.87,;3.61,-9.33,;7.57,-5.93,;8.34,-4.6,;8.34,-7.27,;9.88,-7.27,;10.65,-8.6,;12.19,-8.6,;12.96,-9.94,;12.19,-11.27,;10.65,-11.27,;9.88,-9.94,;4.94,-3.31,;3.61,-2.54,;3.61,-1,;4.94,-.23,;6.28,-1,;6.28,-2.54,)| Show InChI InChI=1S/C25H22O4/c26-24(27)22-20(18-12-6-2-7-13-18)23(21(22)19-14-8-3-9-15-19)25(28)29-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2,(H,26,27)/p-1 | PDB
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The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50468458
(CHEMBL4285313 | US10968163, Compound 3b)Show SMILES COc1ccc(COC(=O)[C@H]2[C@H]([C@@H]([C@@H]2c2ccccc2)C(O)=O)c2ccccc2)cc1 |r,wU:11.24,10.9,wD:12.21,13.14,(16.05,-22.87,;16.45,-24.35,;17.94,-24.75,;19.03,-23.66,;20.51,-24.06,;20.91,-25.55,;22.39,-25.95,;23.48,-24.86,;23.08,-23.37,;21.6,-22.97,;24.17,-22.28,;24.17,-20.74,;25.71,-20.74,;25.71,-22.28,;26.8,-23.37,;26.4,-24.86,;27.49,-25.95,;28.97,-25.55,;29.37,-24.05,;28.28,-22.97,;26.8,-19.65,;28.29,-20.05,;26.4,-18.17,;23.08,-19.65,;23.49,-18.17,;22.4,-17.08,;20.91,-17.48,;20.51,-18.98,;21.6,-20.06,;19.83,-26.64,;18.34,-26.24,)| Show InChI InChI=1S/C26H24O5/c1-30-20-14-12-17(13-15-20)16-31-26(29)24-21(18-8-4-2-5-9-18)23(25(27)28)22(24)19-10-6-3-7-11-19/h2-15,21-24H,16H2,1H3,(H,27,28)/t21-,22-,23-,24-/m0/s1 | PDB
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The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(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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| 100 | 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 human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b... |
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 5
(Homo sapiens (Human)) | BDBM489713
(US10968163, Compound 3k)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccc(Cl)c(Cl)c1Cl)c1ccccc1 |r,wU:4.27,5.14,wD:6.7,3.2,(4.05,3.51,;2.57,3.91,;2.17,5.39,;1.48,2.82,;-.08,2.8,;-.08,1.26,;1.46,1.26,;2.55,.17,;2.15,-1.31,;3.24,-2.4,;4.73,-2,;5.13,-.52,;4.04,.57,;-1.17,.17,;-2.66,.57,;-.77,-1.31,;-1.86,-2.4,;-3.35,-2,;-4.44,-3.09,;-4.04,-4.58,;-5.13,-5.67,;-2.55,-4.98,;-2.15,-6.47,;-1.46,-3.89,;.03,-4.29,;-1.17,3.89,;-.77,5.38,;-1.86,6.47,;-3.35,6.07,;-3.75,4.58,;-2.66,3.49,)| Show InChI InChI=1S/C24H17Cl3O4/c25-15-11-12-16(22(27)21(15)26)31-24(30)20-17(13-7-3-1-4-8-13)19(23(28)29)18(20)14-9-5-2-6-10-14/h1-12,17-20H,(H,28,29)/t17-,18-,19-,20-/m0/s1 | PDB
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The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50468478
(CHEMBL4280183 | US10968163, Compound 4j | US202303...)Show SMILES COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.42,10.33,(46.68,-34.73,;46.28,-36.21,;44.79,-36.61,;43.71,-35.52,;42.22,-35.92,;41.82,-37.42,;42.91,-38.5,;44.39,-38.09,;45.48,-39.18,;47.02,-39.18,;47.02,-40.72,;45.48,-40.72,;44.39,-41.81,;42.9,-41.41,;44.79,-43.3,;43.7,-44.39,;44.1,-45.87,;45.54,-46.42,;46.9,-45.73,;48.19,-46.56,;48.11,-48.1,;46.74,-48.79,;45.46,-47.96,;43.97,-48.36,;43.28,-49.72,;41.76,-49.81,;40.92,-48.52,;41.61,-47.15,;43.14,-47.07,;48.11,-41.81,;47.71,-43.3,;48.79,-44.39,;50.28,-43.99,;50.68,-42.49,;49.59,-41.41,;49.98,-39.92,;51.47,-39.52,;48.11,-38.09,;49.6,-38.49,;47.71,-36.6,)| Show InChI InChI=1S/C34H30O6/c1-38-27-17-9-7-15-24(27)29-31(33(35)36)30(25-16-8-10-18-28(25)39-2)32(29)34(37)40-19-26-22-13-5-3-11-20(22)21-12-4-6-14-23(21)26/h3-18,26,29-32H,19H2,1-2H3,(H,35,36)/t29-,30-,31-,32-/m0/s1 | PDB
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The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(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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F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b... |
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 5
(Homo sapiens (Human)) | BDBM635749
(US20230365488, Compound 1f)Show SMILES OC(=O)[C@@H]1C([C@H]([C@@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccc2CC(=O)Nc2c1)c1ccccc1 |r,wU:6.7,3.2,wD:5.14,(-7.56,-3.35,;-7.56,-1.81,;-8.89,-1.04,;-6.23,-1.04,;-4.74,-1.44,;-4.34,.05,;-5.83,.45,;-6.6,1.78,;-5.83,3.12,;-6.6,4.45,;-8.14,4.45,;-8.91,3.12,;-8.14,1.78,;-3.01,.82,;-1.67,.05,;-3.01,2.36,;-1.67,3.13,;-1.67,4.67,;-.34,5.44,;1,4.67,;1,3.13,;-.34,2.36,;2.33,2.36,;2.33,.82,;3.66,.05,;5,.82,;6.46,.34,;7.37,1.59,;8.91,1.59,;6.46,2.84,;5,2.36,;3.66,3.13,;-3.97,-2.77,;-4.74,-4.11,;-3.97,-5.44,;-2.43,-5.44,;-1.66,-4.11,;-2.43,-2.77,)| | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(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
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F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b... |
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 5
(Homo sapiens (Human)) | BDBM489698
(US10968163, Compound 3 | US10968163, Compound 3-A)Show SMILES [O-]C(=O)C1C(C(C1c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1 |(1.55,-7.27,;2.32,-5.93,;1.55,-4.6,;3.86,-5.93,;4.94,-4.85,;6.03,-5.93,;4.94,-7.02,;4.94,-8.56,;6.28,-9.33,;6.28,-10.87,;4.94,-11.64,;3.61,-10.87,;3.61,-9.33,;7.57,-5.93,;8.34,-4.6,;8.34,-7.27,;9.88,-7.27,;10.65,-8.6,;12.19,-8.6,;12.96,-9.94,;12.19,-11.27,;10.65,-11.27,;9.88,-9.94,;4.94,-3.31,;3.61,-2.54,;3.61,-1,;4.94,-.23,;6.28,-1,;6.28,-2.54,)| Show InChI InChI=1S/C25H22O4/c26-24(27)22-20(18-12-6-2-7-13-18)23(21(22)19-14-8-3-9-15-19)25(28)29-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2,(H,26,27)/p-1 | PDB
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The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM489700
(US10968163, Compound 3-B)Show SMILES COc1ccc(COC(=O)C2C(C(C2c2ccccc2)C([O-])=O)c2ccccc2)cc1 |(14.5,-12.6,;12.96,-12.6,;12.19,-11.27,;12.96,-9.94,;12.19,-8.6,;10.65,-8.6,;9.88,-7.27,;8.34,-7.27,;7.57,-5.93,;8.34,-4.6,;6.03,-5.93,;4.94,-4.85,;3.86,-5.93,;4.94,-7.02,;4.94,-8.56,;6.28,-9.33,;6.28,-10.87,;4.94,-11.64,;3.61,-10.87,;3.61,-9.33,;2.32,-5.93,;1.55,-7.27,;1.55,-4.6,;4.94,-3.31,;3.61,-2.54,;3.61,-1,;4.94,-.23,;6.28,-1,;6.28,-2.54,;9.88,-9.94,;10.65,-11.27,)| Show InChI InChI=1S/C26H24O5/c1-30-20-14-12-17(13-15-20)16-31-26(29)24-21(18-8-4-2-5-9-18)23(25(27)28)22(24)19-10-6-3-7-11-19/h2-15,21-24H,16H2,1H3,(H,27,28)/p-1 | PDB
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The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50468472
(CHEMBL4281708 | US10968163, Compound 3m)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OC1Cc2ccccc2C1)c1ccccc1 |r,wU:4.28,5.14,wD:3.2,6.7,(52.65,-49.29,;51.16,-48.89,;50.76,-47.4,;50.07,-49.98,;48.53,-49.98,;48.53,-51.52,;50.07,-51.52,;51.16,-52.6,;50.75,-54.09,;51.84,-55.18,;53.33,-54.78,;53.73,-53.29,;52.64,-52.2,;47.44,-52.6,;45.95,-52.21,;47.84,-54.09,;46.75,-55.18,;45.23,-54.94,;44.54,-56.31,;43.06,-56.71,;42.65,-58.19,;43.75,-59.28,;45.22,-58.88,;45.62,-57.4,;46.99,-56.71,;47.44,-48.89,;47.84,-47.41,;46.75,-46.32,;45.27,-46.72,;44.87,-48.21,;45.96,-49.29,)| Show InChI InChI=1S/C27H24O4/c28-26(29)24-22(17-9-3-1-4-10-17)25(23(24)18-11-5-2-6-12-18)27(30)31-21-15-19-13-7-8-14-20(19)16-21/h1-14,21-25H,15-16H2,(H,28,29)/t22-,23-,24-,25-/m0/s1 | PDB
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The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM489706
(US10968163, Compound 3f)Show SMILES OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)OC1CCCCC1)c1ccccc1 |r,wU:6.7,5.14,wD:4.24,3.2,(-2.75,3.69,;-3.15,2.2,;-4.63,1.81,;-2.06,1.12,;-2.06,-.42,;-.52,-.42,;-.52,1.12,;.57,2.2,;2.06,1.81,;3.15,2.89,;2.75,4.38,;1.26,4.78,;.17,3.69,;.57,-1.51,;.17,-3,;2.06,-1.12,;3.15,-2.2,;2.75,-3.69,;3.84,-4.78,;5.33,-4.38,;5.72,-2.89,;4.63,-1.81,;-3.15,-1.51,;-4.63,-1.12,;-5.72,-2.2,;-5.33,-3.69,;-3.84,-4.09,;-2.75,-3,)| Show InChI InChI=1S/C24H26O4/c25-23(26)21-19(16-10-4-1-5-11-16)22(20(21)17-12-6-2-7-13-17)24(27)28-18-14-8-3-9-15-18/h1-2,4-7,10-13,18-22H,3,8-9,14-15H2,(H,25,26)/t19-,20-,21-,22-/m1/s1 | PDB
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UniChem
| US Patent
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM489737
(US10968163, Compound 4h)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Br)C(=O)OC1CCCC[C@H]1c1ccccc1)c1ccccc1Br |r,wU:4.32,5.15,wD:6.7,22.25,3.2,(3.71,3.36,;2.22,3.76,;1.82,5.25,;1.13,2.67,;-.42,2.66,;-.42,1.12,;1.12,1.12,;2.2,.03,;1.81,-1.46,;2.89,-2.55,;4.38,-2.15,;4.78,-.66,;3.69,.43,;4.09,1.91,;-1.51,.03,;-3,.43,;-1.12,-1.46,;-2.2,-2.55,;-3.69,-2.15,;-4.78,-3.24,;-4.38,-4.73,;-2.89,-5.13,;-1.81,-4.04,;-.32,-4.44,;.08,-5.92,;1.57,-6.32,;2.66,-5.23,;2.26,-3.75,;.77,-3.35,;-1.51,3.75,;-3,3.35,;-4.09,4.44,;-3.69,5.92,;-2.2,6.32,;-1.12,5.23,;.37,5.63,)| Show InChI InChI=1S/C30H28Br2O4/c31-22-15-7-4-13-20(22)25-27(29(33)34)26(21-14-5-8-16-23(21)32)28(25)30(35)36-24-17-9-6-12-19(24)18-10-2-1-3-11-18/h1-5,7-8,10-11,13-16,19,24-28H,6,9,12,17H2,(H,33,34)/t19-,24?,25-,26-,27-,28-/m0/s1 | PDB
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| US Patent
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50468467
(CHEMBL4285544 | US10968163, Compound 3q)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1 |r,wU:4.34,5.14,wD:3.2,6.7,(45.06,-3.75,;43.57,-3.35,;43.17,-1.87,;42.48,-4.44,;40.94,-4.44,;40.94,-5.99,;42.48,-5.99,;43.57,-7.08,;43.16,-8.56,;44.25,-9.65,;45.74,-9.26,;46.14,-7.76,;45.05,-6.68,;39.85,-7.08,;38.36,-6.68,;40.24,-8.56,;39.16,-9.65,;39.55,-11.14,;41,-11.69,;42.36,-11,;43.65,-11.83,;43.57,-13.37,;42.2,-14.06,;40.92,-13.23,;39.43,-13.63,;38.74,-14.99,;37.21,-15.08,;36.37,-13.79,;37.07,-12.42,;38.59,-12.34,;39.85,-3.35,;40.25,-1.87,;39.16,-.78,;37.67,-1.18,;37.27,-2.68,;38.36,-3.76,)| Show InChI InChI=1S/C32H26O4/c33-31(34)29-27(20-11-3-1-4-12-20)30(28(29)21-13-5-2-6-14-21)32(35)36-19-26-24-17-9-7-15-22(24)23-16-8-10-18-25(23)26/h1-18,26-30H,19H2,(H,33,34)/t27-,28-,29-,30-/m0/s1 | PDB
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| US Patent
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50468474
(CHEMBL4293553 | US10968163, Compound 3d)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccc(Br)cc1)c1ccccc1 |r,wU:4.26,5.14,wD:3.2,6.7,(59,-19.53,;57.51,-19.13,;57.11,-17.65,;56.42,-20.22,;54.88,-20.22,;54.88,-21.76,;56.42,-21.76,;57.51,-22.85,;57.1,-24.34,;58.19,-25.43,;59.68,-25.03,;60.08,-23.53,;58.99,-22.45,;53.79,-22.85,;52.3,-22.45,;54.19,-24.34,;53.1,-25.43,;51.61,-25.03,;51.22,-23.54,;49.73,-23.14,;48.64,-24.23,;47.15,-23.83,;49.05,-25.72,;50.53,-26.11,;53.79,-19.13,;54.19,-17.65,;53.1,-16.56,;51.62,-16.96,;51.22,-18.46,;52.31,-19.54,)| Show InChI InChI=1S/C25H21BrO4/c26-19-13-11-16(12-14-19)15-30-25(29)23-20(17-7-3-1-4-8-17)22(24(27)28)21(23)18-9-5-2-6-10-18/h1-14,20-23H,15H2,(H,27,28)/t20-,21-,22-,23-/m0/s1 | PDB
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| US Patent
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(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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| Article
PubMed
| 167 | 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 human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b... |
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 5
(Homo sapiens (Human)) | BDBM50468438
(CHEMBL4282959 | US10968163, Compound 3c)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccc(F)cc1)c1ccccc1 |r,wU:4.26,5.14,wD:3.2,6.7,(43.56,-20.06,;42.07,-19.66,;41.67,-18.17,;40.98,-20.75,;39.44,-20.75,;39.44,-22.29,;40.98,-22.29,;42.07,-23.38,;41.67,-24.87,;42.75,-25.96,;44.24,-25.56,;44.64,-24.06,;43.55,-22.98,;38.35,-23.38,;36.86,-22.98,;38.75,-24.87,;37.66,-25.96,;36.17,-25.56,;35.78,-24.07,;34.29,-23.67,;33.2,-24.76,;31.71,-24.36,;33.61,-26.25,;35.09,-26.64,;38.35,-19.66,;38.75,-18.18,;37.67,-17.09,;36.18,-17.49,;35.78,-18.99,;36.87,-20.07,)| Show InChI InChI=1S/C25H21FO4/c26-19-13-11-16(12-14-19)15-30-25(29)23-20(17-7-3-1-4-8-17)22(24(27)28)21(23)18-9-5-2-6-10-18/h1-14,20-23H,15H2,(H,27,28)/t20-,21-,22-,23-/m0/s1 | PDB
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| US Patent
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50468465
(CHEMBL4288603 | US10968163, Compound 3l-A)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,16.17,wD:3.2,6.7,21.24,(26.3,-49.55,;24.81,-49.15,;24.41,-47.67,;23.72,-50.24,;22.18,-50.24,;22.18,-51.78,;23.72,-51.78,;24.81,-52.87,;24.41,-54.36,;25.49,-55.45,;26.98,-55.05,;27.38,-53.55,;26.29,-52.47,;21.09,-52.87,;19.61,-52.47,;21.49,-54.36,;20.4,-55.45,;18.91,-55.05,;17.83,-56.14,;18.22,-57.63,;19.71,-58.03,;20.8,-56.94,;22.29,-57.34,;22.68,-58.83,;24.17,-59.23,;25.26,-58.14,;24.86,-56.65,;23.37,-56.25,;21.09,-49.15,;21.5,-47.67,;20.41,-46.59,;18.92,-46.98,;18.52,-48.48,;19.61,-49.56,)| Show InChI InChI=1S/C30H30O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-17,23-28H,10-11,18-19H2,(H,31,32)/t23-,24+,25-,26-,27-,28-/m0/s1 | PDB
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| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description
Displacement of DAUDA from recombinant human N-terminal His-tagged FABP5 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assay |
Eur J Med Chem 154: 233-252 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.050
BindingDB Entry DOI: 10.7270/Q2ZK5KC1 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50468456
(CHEMBL4278244 | US10968163, Compound 3o)Show SMILES CC(=O)Nc1ccc2c(OC(=O)[C@H]3[C@H]([C@@H]([C@@H]3c3ccccc3)C(O)=O)c3ccccc3)cccc2c1 |r,wU:13.26,12.11,wD:14.23,15.16,(71.48,-50.09,;72.96,-50.49,;74.05,-49.4,;73.36,-51.98,;74.85,-52.38,;75.93,-51.3,;77.41,-51.7,;77.79,-53.18,;79.28,-53.57,;80.37,-52.48,;79.97,-50.99,;78.48,-50.6,;81.06,-49.91,;81.06,-48.37,;82.6,-48.37,;82.6,-49.91,;83.69,-50.99,;83.28,-52.48,;84.37,-53.57,;85.86,-53.17,;86.26,-51.68,;85.17,-50.59,;83.69,-47.28,;85.17,-47.67,;83.29,-45.79,;79.97,-47.28,;80.37,-45.8,;79.28,-44.71,;77.79,-45.11,;77.4,-46.6,;78.49,-47.68,;79.68,-55.05,;78.59,-56.14,;77.1,-55.74,;76.71,-54.25,;75.24,-53.85,)| Show InChI InChI=1S/C30H25NO5/c1-18(32)31-22-15-16-23-21(17-22)13-8-14-24(23)36-30(35)28-25(19-9-4-2-5-10-19)27(29(33)34)26(28)20-11-6-3-7-12-20/h2-17,25-28H,1H3,(H,31,32)(H,33,34)/t25-,26-,27-,28-/m0/s1 | PDB
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| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM489736
(US10968163, Compound 4g)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1c(Cl)cccc1Cl)C(=O)OC1CCCC[C@H]1c1ccccc1)c1c(Cl)cccc1Cl |r,wU:4.33,5.16,wD:6.7,23.26,3.2,(3.71,3.36,;2.22,3.76,;1.82,5.25,;1.13,2.67,;-.42,2.66,;-.42,1.12,;1.12,1.12,;2.2,.03,;3.69,.43,;4.09,1.91,;4.78,-.66,;4.38,-2.15,;2.89,-2.55,;1.81,-1.46,;.32,-1.86,;-1.51,.03,;-3,.43,;-1.12,-1.46,;-2.2,-2.55,;-3.69,-2.15,;-4.78,-3.24,;-4.38,-4.73,;-2.89,-5.13,;-1.81,-4.04,;-.32,-4.44,;.08,-5.92,;1.57,-6.32,;2.66,-5.23,;2.26,-3.75,;.77,-3.35,;-1.51,3.75,;-1.12,5.23,;.37,5.63,;-2.2,6.32,;-3.69,5.92,;-4.09,4.44,;-3,3.35,;-3.4,1.86,)| Show InChI InChI=1S/C30H26Cl4O4/c31-18-11-6-12-19(32)23(18)25-27(29(35)36)26(24-20(33)13-7-14-21(24)34)28(25)30(37)38-22-15-5-4-10-17(22)16-8-2-1-3-9-16/h1-3,6-9,11-14,17,22,25-28H,4-5,10,15H2,(H,35,36)/t17-,22?,25-,26-,27-,28-/m0/s1 | PDB
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| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50468454
(CHEMBL4277947)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)O[C@H]1CCCC[C@@H]1c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,21.24,wD:3.2,6.7,16.17,(39.12,-49.63,;37.64,-49.23,;37.24,-47.75,;36.55,-50.32,;35.01,-50.32,;35.01,-51.86,;36.55,-51.86,;37.64,-52.95,;37.23,-54.44,;38.32,-55.53,;39.81,-55.13,;40.2,-53.63,;39.11,-52.55,;33.92,-52.95,;32.43,-52.55,;34.32,-54.44,;33.23,-55.53,;31.74,-55.13,;30.65,-56.21,;31.04,-57.7,;32.53,-58.11,;33.63,-57.02,;35.12,-57.42,;35.51,-58.91,;36.99,-59.31,;38.08,-58.22,;37.68,-56.73,;36.2,-56.33,;33.92,-49.23,;34.32,-47.75,;33.23,-46.66,;31.74,-47.06,;31.35,-48.56,;32.44,-49.64,)| Show InChI InChI=1S/C30H30O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-17,23-28H,10-11,18-19H2,(H,31,32)/t23-,24+,25+,26+,27-,28-/m1/s1 | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description
Displacement of DAUDA from recombinant human N-terminal His-tagged FABP5 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assay |
Eur J Med Chem 154: 233-252 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.050
BindingDB Entry DOI: 10.7270/Q2ZK5KC1 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50468452
(CHEMBL4283759 | US10968163, Compound 3e)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccccc1I)c1ccccc1 |r,wU:4.25,5.14,wD:3.2,6.7,(72.92,-19.81,;71.43,-19.41,;71.03,-17.93,;70.34,-20.5,;68.8,-20.5,;68.8,-22.04,;70.34,-22.04,;71.43,-23.13,;71.03,-24.62,;72.11,-25.71,;73.6,-25.31,;74,-23.81,;72.91,-22.73,;67.71,-23.13,;66.22,-22.73,;68.11,-24.62,;67.02,-25.71,;67.42,-27.18,;66.34,-28.27,;64.85,-27.88,;64.45,-26.39,;65.54,-25.3,;65.14,-23.81,;67.71,-19.41,;68.11,-17.93,;67.03,-16.84,;65.54,-17.24,;65.14,-18.74,;66.23,-19.82,)| Show InChI InChI=1S/C24H19IO4/c25-17-13-7-8-14-18(17)29-24(28)22-19(15-9-3-1-4-10-15)21(23(26)27)20(22)16-11-5-2-6-12-16/h1-14,19-22H,(H,26,27)/t19-,20-,21-,22-/m0/s1 | PDB
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| US Patent
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50468436
(CHEMBL4295043 | US10968163, Compound 3h)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,wD:3.2,6.7,(29.04,-31.59,;27.56,-31.19,;27.16,-29.7,;26.47,-32.28,;24.93,-32.28,;24.93,-33.82,;26.47,-33.82,;27.56,-34.91,;27.15,-36.39,;28.24,-37.48,;29.73,-37.08,;30.12,-35.59,;29.03,-34.51,;23.84,-34.91,;22.35,-34.51,;24.24,-36.39,;23.15,-37.48,;23.55,-38.96,;22.47,-40.05,;20.97,-39.65,;20.57,-38.16,;21.66,-37.08,;19.09,-37.77,;18.7,-36.28,;17.21,-35.88,;16.12,-36.97,;16.52,-38.46,;18.01,-38.86,;23.84,-31.19,;24.24,-29.71,;23.15,-28.62,;21.66,-29.02,;21.27,-30.51,;22.36,-31.6,)| Show InChI InChI=1S/C30H24O4/c31-29(32)27-25(21-13-6-2-7-14-21)28(26(27)22-15-8-3-9-16-22)30(33)34-24-18-10-17-23(19-24)20-11-4-1-5-12-20/h1-19,25-28H,(H,31,32)/t25-,26-,27-,28-/m0/s1 | PDB
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The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50212875
(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) | PDB
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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
(Homo sapiens (Human)) | BDBM50150484
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)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- | PDB
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| 248 | 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 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
(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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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
(Homo sapiens (Human)) | BDBM635733
(US20230365488, Compound 1a)Show SMILES OC(=O)[C@@H]1C([C@H]([C@@H]1c1ccccc1)C(=O)Oc1cc(ccc1C#N)-c1ccccc1)c1ccccc1 |r,wU:6.7,3.2,wD:5.14,(-5.6,-3.73,;-5.6,-2.19,;-6.94,-1.42,;-4.27,-1.42,;-2.78,-1.82,;-2.38,-.34,;-3.87,.06,;-4.64,1.4,;-3.87,2.73,;-4.64,4.06,;-6.18,4.06,;-6.95,2.73,;-6.18,1.4,;-1.05,.43,;.28,-.34,;-1.05,1.97,;.28,2.74,;1.62,1.97,;2.95,2.74,;2.95,4.28,;1.62,5.05,;.24,4.31,;-1.1,5.08,;-2.43,5.85,;4.28,1.97,;4.28,.43,;5.62,-.34,;6.95,.43,;6.95,1.97,;5.62,2.74,;-2.01,-3.16,;-2.78,-4.49,;-2.01,-5.82,;-.47,-5.82,;.3,-4.49,;-.47,-3.16,)| | PDB
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Citation and Details
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More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM489726
(US10968163, Compound 3s)Show SMILES [O-]C(=O)C1C(C(C1c1ccccc1)C(=O)OC1CCCCC1)c1ccccc1 |(-.73,-7.04,;.04,-5.71,;-.73,-4.38,;1.58,-5.71,;2.67,-4.62,;3.76,-5.71,;2.67,-6.8,;2.67,-8.34,;4,-9.11,;4,-10.65,;2.67,-11.42,;1.33,-10.65,;1.33,-9.11,;5.3,-5.71,;6.07,-7.04,;6.07,-4.38,;7.61,-4.38,;8.38,-3.04,;9.92,-3.04,;10.69,-4.38,;9.92,-5.71,;8.38,-5.71,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,)| Show InChI InChI=1S/C24H26O4/c25-23(26)21-19(16-10-4-1-5-11-16)22(20(21)17-12-6-2-7-13-17)24(27)28-18-14-8-3-9-15-18/h1-2,4-7,10-13,18-22H,3,8-9,14-15H2,(H,25,26)/p-1 | PDB
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The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM635771
(US20230365488, Compound 2b)Show SMILES OC(=O)C1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cc(ccc1C#N)-c1ccccc1)c1ccccc1 |r,wU:4.33,5.14,wD:6.7,(-5.91,-3.3,;-4.37,-3.3,;-3.6,-4.63,;-3.6,-1.96,;-2.11,-1.57,;-2.51,-.08,;-4,-.48,;-5.33,.29,;-5.33,1.83,;-6.66,2.6,;-8,1.83,;-8,.29,;-6.66,-.48,;-1.74,1.26,;-2.51,2.59,;-.2,1.26,;.96,2.07,;2.45,1.67,;3.54,2.76,;3.14,4.25,;1.65,4.65,;.47,3.62,;-1.02,4.04,;-2.5,4.45,;5.02,2.36,;5.42,.87,;6.91,.48,;8,1.56,;7.6,3.05,;6.11,3.45,;-.78,-2.34,;-.78,-3.88,;.56,-4.65,;1.89,-3.88,;1.89,-2.34,;.56,-1.57,)| | PDB
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More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM489734
(US10968163, Compound 4f)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Cl)C(=O)OC1CCCC[C@H]1c1ccccc1)c1ccccc1Cl |r,wU:4.32,5.15,wD:6.7,22.25,3.2,(3.71,3.36,;2.22,3.76,;1.82,5.25,;1.13,2.67,;-.42,2.66,;-.42,1.12,;1.12,1.12,;2.2,.03,;1.81,-1.46,;2.89,-2.55,;4.38,-2.15,;4.78,-.66,;3.69,.43,;4.09,1.91,;-1.51,.03,;-3,.43,;-1.12,-1.46,;-2.2,-2.55,;-3.69,-2.15,;-4.78,-3.24,;-4.38,-4.73,;-2.89,-5.13,;-1.81,-4.04,;-.32,-4.44,;.08,-5.92,;1.57,-6.32,;2.66,-5.23,;2.26,-3.75,;.77,-3.35,;-1.51,3.75,;-3,3.35,;-4.09,4.44,;-3.69,5.92,;-2.2,6.32,;-1.12,5.23,;.37,5.63,)| Show InChI InChI=1S/C30H28Cl2O4/c31-22-15-7-4-13-20(22)25-27(29(33)34)26(21-14-5-8-16-23(21)32)28(25)30(35)36-24-17-9-6-12-19(24)18-10-2-1-3-11-18/h1-5,7-8,10-11,13-16,19,24-28H,6,9,12,17H2,(H,33,34)/t19-,24?,25-,26-,27-,28-/m0/s1 | PDB
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The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM635735
(US20230365488, Compound 1b)Show SMILES COc1ccccc1C1[C@H]([C@H]([C@@H]1C(=O)Oc1cc(ccc1C#N)-c1ccccc1)c1ccccc1OC)C(O)=O |r,wU:10.32,9.41,wD:11.13,(1.87,-1.78,;.33,-1.78,;-.45,-3.11,;.3,-4.49,;-.47,-5.82,;-2.01,-5.82,;-2.78,-4.49,;-2.01,-3.16,;-2.78,-1.82,;-4.27,-1.42,;-3.87,.06,;-2.38,-.34,;-1.05,.43,;.28,-.34,;-1.05,1.97,;.28,2.74,;1.62,1.97,;2.95,2.74,;2.95,4.28,;1.62,5.05,;.24,4.31,;-1.1,5.08,;-2.43,5.85,;4.28,1.97,;4.28,.43,;5.62,-.34,;6.95,.43,;6.95,1.97,;5.62,2.74,;-4.64,1.4,;-3.87,2.73,;-4.64,4.06,;-6.18,4.06,;-6.95,2.73,;-6.18,1.4,;-6.95,.06,;-8.47,.33,;-5.6,-2.19,;-5.6,-3.73,;-6.94,-1.42,)| | PDB
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More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(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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| 350 | 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 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 Structure (crystal) |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM635745
(US20230365488, Compound 1c)Show SMILES OC(=O)[C@@H]1C([C@H]([C@@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccc2OCOc2c1)c1ccccc1 |r,wU:6.7,3.2,wD:5.14,(-6.79,-3.35,;-6.79,-1.81,;-8.12,-1.04,;-5.46,-1.04,;-3.97,-1.44,;-3.57,.05,;-5.06,.45,;-5.83,1.78,;-5.06,3.12,;-5.83,4.45,;-7.37,4.45,;-8.14,3.12,;-7.37,1.78,;-2.24,.82,;-.9,.05,;-2.24,2.36,;-.9,3.13,;-.9,4.67,;.43,5.44,;1.77,4.67,;1.77,3.13,;.43,2.36,;3.1,2.36,;3.1,.82,;4.43,.05,;5.77,.82,;7.23,.34,;8.14,1.59,;7.23,2.84,;5.77,2.36,;4.43,3.13,;-3.2,-2.77,;-3.97,-4.11,;-3.2,-5.44,;-1.66,-5.44,;-.89,-4.11,;-1.66,-2.77,)| | PDB
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More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50468463
(CHEMBL4290535 | US10968163, Compound 3i)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccc(cc1)-c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,wD:3.2,6.7,(47.28,-32.35,;45.8,-31.95,;45.4,-30.46,;44.71,-33.04,;43.17,-33.04,;43.17,-34.58,;44.71,-34.58,;45.8,-35.67,;45.39,-37.16,;46.48,-38.25,;47.97,-37.85,;48.36,-36.35,;47.27,-35.27,;42.08,-35.67,;40.59,-35.27,;42.48,-37.16,;41.39,-38.25,;39.9,-37.84,;38.81,-38.93,;39.21,-40.42,;40.71,-40.81,;41.79,-39.72,;38.12,-41.51,;36.64,-41.1,;35.55,-42.19,;35.95,-43.68,;37.45,-44.07,;38.53,-42.98,;42.08,-31.95,;42.48,-30.47,;41.39,-29.38,;39.9,-29.78,;39.51,-31.28,;40.6,-32.36,)| Show InChI InChI=1S/C30H24O4/c31-29(32)27-25(22-12-6-2-7-13-22)28(26(27)23-14-8-3-9-15-23)30(33)34-24-18-16-21(17-19-24)20-10-4-1-5-11-20/h1-19,25-28H,(H,31,32)/t25-,26-,27-,28-/m0/s1 | PDB
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The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM635750
(US20230365488, Compound 1g)Show SMILES COc1ccccc1C1[C@H]([C@H]([C@@H]1C(=O)Oc1cccc(c1)-c1cccc2OCCOc12)c1ccccc1OC)C(O)=O |r,wU:10.35,9.44,wD:11.13,(1.86,-1.39,;.32,-1.39,;-.45,-2.72,;.3,-4.11,;-.47,-5.44,;-2.01,-5.44,;-2.78,-4.11,;-2.01,-2.77,;-2.78,-1.44,;-4.27,-1.04,;-3.87,.45,;-2.38,.05,;-1.05,.82,;.28,.05,;-1.05,2.36,;.28,3.13,;.28,4.67,;1.62,5.44,;2.95,4.67,;2.95,3.13,;1.62,2.36,;4.28,2.36,;5.62,3.13,;6.95,2.36,;6.95,.82,;5.62,.05,;5.62,-1.49,;4.28,-2.26,;2.95,-1.49,;2.95,.05,;4.28,.82,;-4.64,1.78,;-3.87,3.12,;-4.64,4.45,;-6.18,4.45,;-6.95,3.12,;-6.18,1.78,;-6.95,.45,;-8.47,.72,;-5.6,-1.81,;-5.6,-3.35,;-6.94,-1.04,)| | PDB
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More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50468475
(CHEMBL4279887 | US10968163, Compound 3j)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccccc1-c1ccccc1O)c1ccccc1 |r,wU:4.32,5.14,wD:3.2,6.7,(59.49,-31.47,;58.01,-31.07,;57.61,-29.58,;56.92,-32.16,;55.38,-32.16,;55.38,-33.7,;56.92,-33.7,;58.01,-34.79,;57.6,-36.28,;58.69,-37.37,;60.18,-36.97,;60.58,-35.47,;59.48,-34.39,;54.29,-34.79,;52.8,-34.39,;54.69,-36.28,;53.6,-37.37,;52.11,-36.96,;51.02,-38.05,;51.42,-39.54,;52.92,-39.93,;54,-38.84,;55.49,-39.24,;56.56,-38.14,;58.05,-38.53,;58.46,-40.02,;57.37,-41.11,;55.89,-40.72,;54.8,-41.81,;54.29,-31.07,;54.69,-29.59,;53.6,-28.5,;52.11,-28.9,;51.72,-30.4,;52.81,-31.48,)| Show InChI InChI=1S/C30H24O5/c31-23-17-9-7-15-21(23)22-16-8-10-18-24(22)35-30(34)28-25(19-11-3-1-4-12-19)27(29(32)33)26(28)20-13-5-2-6-14-20/h1-18,25-28,31H,(H,32,33)/t25-,26-,27-,28-/m0/s1 | PDB
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PC sid
UniChem
| US Patent
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
BindingDB Entry DOI: 10.7270/Q2ST7SZR |
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Ligand-Target Pair | |
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