Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sonic hedgehog protein' and Ligand = 'BDBM50443897'   

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))	BDBM50443897 (CHEMBL3091571) Show SMILES Cc1cnc(Nc2ccc(cc2)C(=O)NC2CCCCC2)nc1-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C25H25F3N4O2/c1-16-15-29-24(32-22(16)17-9-13-21(14-10-17)34-25(26,27)28)31-20-11-7-18(8-12-20)23(33)30-19-5-3-2-4-6-19/h7-15,19H,2-6H2,1H3,(H,30,33)(H,29,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	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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