Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sonic hedgehog protein' and Ligand = 'BDBM50443920'   

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
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50443920 (CHEMBL3091729) Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2cccc(OC(F)(F)F)c2)cc1 Show InChI InChI=1S/C27H23F3N4O2/c1-16-6-4-7-17(2)23(16)33-25(35)19-10-12-21(13-11-19)32-26-31-15-18(3)24(34-26)20-8-5-9-22(14-20)36-27(28,29)30/h4-15H,1-3H3,(H,33,35)(H,31,32,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Simcere Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay				Bioorg Med Chem Lett 23: 6777-83 (2013) Article DOI: 10.1016/j.bmcl.2013.10.022 BindingDB Entry DOI: 10.7270/Q2R49S7W
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