BDBM50539183 CHEMBL4636352

SMILES: Cc1cc(Cl)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cn(C)cn1

InChI Key: InChIKey=MRGRQCNKGGCKHW-UHFFFAOYSA-N

Data: 1 EC50

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 = 50539183   

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
Smoothened homolog (Mus musculus)	BDBM50539183 (CHEMBL4636352) Show SMILES Cc1cc(Cl)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1cn(C)cn1 Show InChI InChI=1S/C24H21ClN4O2/c1-16-11-21(25)20(23-13-29(2)15-27-23)12-22(16)28-24(30)17-6-8-19(9-7-17)31-14-18-5-3-4-10-26-18/h3-13,15H,14H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentia...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair