Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50352266'   

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))	BDBM50352266 (CHEMBL1822301) Show SMILES CC(C)(CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1)N1CCOCC1 Show InChI InChI=1S/C25H32N6O3/c1-25(2,31-13-15-33-16-14-31)17-26-24(32)30-11-9-19(10-12-30)23-28-22(29-34-23)21-8-7-18-5-3-4-6-20(18)27-21/h3-8,19H,9-17H2,1-2H3,(H,26,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum				Bioorg Med Chem Lett 21: 5283-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.030 BindingDB Entry DOI: 10.7270/Q24F1R35
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352266 (CHEMBL1822301) Show SMILES CC(C)(CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1)N1CCOCC1 Show InChI InChI=1S/C25H32N6O3/c1-25(2,31-13-15-33-16-14-31)17-26-24(32)30-11-9-19(10-12-30)23-28-22(29-34-23)21-8-7-18-5-3-4-6-20(18)27-21/h3-8,19H,9-17H2,1-2H3,(H,26,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human seru...				Bioorg Med Chem Lett 21: 5283-8 (2011) Article DOI: 10.1016/j.bmcl.2011.07.030 BindingDB Entry DOI: 10.7270/Q24F1R35
					More data for this Ligand-Target Pair