BDBM50543407 CHEMBL4641899

SMILES: CC(C)c1ccccc1NC(=O)c1cc2cccc(O)c2oc1=N

InChI Key: InChIKey=ITUYJTBJDXCMSE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50543407   

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
Aldo-keto-reductase family 1 member C3 (Homo sapiens (Human))	BDBM50543407 (CHEMBL4641899) Show SMILES CC(C)c1ccccc1NC(=O)c1cc2cccc(O)c2oc1=N Show InChI InChI=1S/C19H18N2O3/c1-11(2)13-7-3-4-8-15(13)21-19(23)14-10-12-6-5-9-16(22)17(12)24-18(14)20/h3-11,20,22H,1-2H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	30	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)
					More data for this Ligand-Target Pair