Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50539195'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Smoothened homolog (Mus musculus)	BDBM50539195 (CHEMBL4647379) Show SMILES Cc1nn(C)c(C)c1-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)c(C)cc1C |(5.51,-12.35,;5.9,-10.86,;4.88,-9.72,;5.64,-8.39,;4.87,-7.06,;7.15,-8.7,;8.24,-7.61,;7.31,-10.24,;8.64,-11.01,;9.98,-10.24,;11.3,-11.01,;12.63,-10.24,;13.97,-11.01,;13.97,-12.55,;15.3,-10.24,;15.31,-8.7,;16.63,-7.93,;17.96,-8.7,;19.3,-7.93,;20.63,-8.7,;21.97,-7.93,;21.97,-6.39,;23.3,-5.63,;24.63,-6.39,;24.64,-7.92,;23.31,-8.7,;17.97,-10.23,;16.64,-11.01,;11.3,-12.55,;12.63,-13.31,;9.98,-13.31,;8.64,-12.55,;7.31,-13.32,)| Show InChI InChI=1S/C27H28N4O2/c1-17-14-18(2)25(15-24(17)26-19(3)30-31(5)20(26)4)29-27(32)21-9-11-23(12-10-21)33-16-22-8-6-7-13-28-22/h6-15H,16H2,1-5H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.10	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) Article DOI: 10.1016/j.bmc.2019.115227 BindingDB Entry DOI: 10.7270/Q2CF9TNC
					More data for this Ligand-Target Pair