Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50352420'   

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))	BDBM50352420 (CHEMBL1823865) Show SMILES O=C(NC1CCCCC1)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H26N6O2/c29-21(23-17-7-2-1-3-8-17)27-12-14-28(15-13-27)22-25-20(26-30-22)19-11-10-16-6-4-5-9-18(16)24-19/h4-6,9-11,17H,1-3,7-8,12-15H2,(H,23,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50352420 (CHEMBL1823865) Show SMILES O=C(NC1CCCCC1)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H26N6O2/c29-21(23-17-7-2-1-3-8-17)27-12-14-28(15-13-27)22-25-20(26-30-22)19-11-10-16-6-4-5-9-18(16)24-19/h4-6,9-11,17H,1-3,7-8,12-15H2,(H,23,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ...				Bioorg Med Chem Lett 21: 5274-82 (2011) Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS
					More data for this Ligand-Target Pair