BDBM50543409 CHEMBL4642852

SMILES: Oc1cccc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c(=N)oc12

InChI Key: InChIKey=PXHPXDYLMIZXSH-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 = 50543409   

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))	BDBM50543409 (CHEMBL4642852) Show SMILES Oc1cccc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c(=N)oc12 Show InChI InChI=1S/C17H11F3N2O3/c18-17(19,20)10-4-6-11(7-5-10)22-16(24)12-8-9-2-1-3-13(23)14(9)25-15(12)21/h1-8,21,23H,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	24	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