BDBM50543420 CHEMBL4638008

SMILES: Oc1cccc2oc(=N)c(cc12)C(=O)Nc1ccc(F)cc1

InChI Key: InChIKey=BBGNFXIXHLGZNL-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 = 50543420   

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))	BDBM50543420 (CHEMBL4638008) Show SMILES Oc1cccc2oc(=N)c(cc12)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C16H11FN2O3/c17-9-4-6-10(7-5-9)19-16(21)12-8-11-13(20)2-1-3-14(11)22-15(12)18/h1-8,18,20H,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	370	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