BDBM50388715 CHEMBL2059874

SMILES: Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cccnc1

InChI Key: InChIKey=GDRKANJOGSNMTE-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 = 50388715   

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
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM50388715 (CHEMBL2059874) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cccnc1 Show InChI InChI=1S/C25H21N3O2/c1-18-7-8-20(21-5-4-13-26-16-21)15-24(18)28-25(29)19-9-11-23(12-10-19)30-17-22-6-2-3-14-27-22/h2-16H,17H2,1H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>450	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay				Bioorg Med Chem Lett 22: 4907-11 (2012) Article DOI: 10.1016/j.bmcl.2012.04.104 BindingDB Entry DOI: 10.7270/Q2W37XCG
					More data for this Ligand-Target Pair