Found 2 hits Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein 5' and Ligand = 'BDBM50468472' 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)) | 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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid 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)) | 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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.57E+3 | 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 | |