Found 2 hits Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, heart' and Ligand = 'BDBM50468456' 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, heart
(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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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, heart
(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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.82E+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 FABP3 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 | |