BDBM50543416 CHEMBL4639909

SMILES: Oc1cccc2cc(C(=O)Nc3ccccc3)c(=N)oc12

InChI Key: InChIKey=PUSMWNKQUMYHMM-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 = 50543416   

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))	BDBM50543416 (CHEMBL4639909) Show SMILES Oc1cccc2cc(C(=O)Nc3ccccc3)c(=N)oc12 Show InChI InChI=1S/C16H12N2O3/c17-15-12(16(20)18-11-6-2-1-3-7-11)9-10-5-4-8-13(19)14(10)21-15/h1-9,17,19H,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	36	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