Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ATP-binding cassette sub-family C member 8' and Ligand = 'BDBM50153520'   

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
ATP-binding cassette sub-family C member 8 (Homo sapiens (Human))	BDBM50153520 ((S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)p...) Show SMILES CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(O)=O |r| Show InChI InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
University of Mainz Curated by ChEMBL					Assay Description In vitro displacement of [3H]-glibenclamide (IC50=0.61) from COS-1 cells expressing Sulfonylurea receptor 1 (SUR-1)				Bioorg Med Chem Lett 14: 5205-9 (2004) Article DOI: 10.1016/j.bmcl.2004.07.059 BindingDB Entry DOI: 10.7270/Q2BG2NGF
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-binding cassette sub-family C member 8 (Homo sapiens (Human))	BDBM50153520 ((S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)p...) Show SMILES CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(O)=O |r| Show InChI InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
University of Mainz Curated by ChEMBL					Assay Description Displacement of [3H]glibenclamide from COS-1 cells expressing Sulfonylurea receptor 1 (SUR-1)				Bioorg Med Chem Lett 14: 5205-9 (2004) Article DOI: 10.1016/j.bmcl.2004.07.059 BindingDB Entry DOI: 10.7270/Q2BG2NGF
					More data for this Ligand-Target Pair				3D Structure (crystal)