Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50468712'   

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)	BDBM50468712 (CHEMBL4279361) Show SMILES COc1cc(OC)c2c(c1)occ(-c1ccc(OC)c(OCc3ccc(cc3)C#N)c1)c2=O Show InChI InChI=1S/C26H21NO6/c1-29-19-11-23(31-3)25-24(12-19)33-15-20(26(25)28)18-8-9-21(30-2)22(10-18)32-14-17-6-4-16(13-27)5-7-17/h4-12,15H,14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay				Eur J Med Chem 156: 554-562 (2018) Article DOI: 10.1016/j.ejmech.2018.07.017 BindingDB Entry DOI: 10.7270/Q2HD7ZB4
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