Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50383024'   

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 (Homo sapiens (Human))	BDBM50383024 (CHEMBL2031283) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(c1)-c1cc2ccccc2[nH]1 |w:17.18| Show InChI InChI=1S/C25H24N4O4/c1-31-21-13-17(14-22(32-2)23(21)33-3)24(30)29-25(26)27-18-9-6-8-15(11-18)20-12-16-7-4-5-10-19(16)28-20/h4-14,28H,1-3H3,(H3,26,27,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
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