Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member C3' and Ligand = 'BDBM50543398'   

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
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543398 (CHEMBL4642187) Show SMILES CCc1ccccc1NC(=O)c1cc2cccc(O)c2oc1=N Show InChI InChI=1S/C18H16N2O3/c1-2-11-6-3-4-8-14(11)20-18(22)13-10-12-7-5-9-15(21)16(12)23-17(13)19/h3-10,19,21H,2H2,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020) Article DOI: 10.1021/acs.jmedchem.0c00939 BindingDB Entry DOI: 10.7270/Q2V40ZSN
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