Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ileal sodium/bile acid cotransporter' and Ligand = 'BDBM50434850'   

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
Ileal sodium/bile acid cotransporter (Rattus norvegicus)	BDBM50434850 (CHEMBL2387397) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C25H34N2O5S/c1-4-6-12-25(5-2)17-33(30,31)22-13-19(15-26-16-23(28)29)21(32-3)14-20(22)24(27-25)18-10-8-7-9-11-18/h7-11,13-14,24,26-27H,4-6,12,15-17H2,1-3H3,(H,28,29)/t24-,25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of rat ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis				J Med Chem 56: 5094-114 (2013) Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Mus musculus)	BDBM50434850 (CHEMBL2387397) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C25H34N2O5S/c1-4-6-12-25(5-2)17-33(30,31)22-13-19(15-26-16-23(28)29)21(32-3)14-20(22)24(27-25)18-10-8-7-9-11-18/h7-11,13-14,24,26-27H,4-6,12,15-17H2,1-3H3,(H,28,29)/t24-,25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of mouse ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...				J Med Chem 56: 5094-114 (2013) Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50434850 (CHEMBL2387397) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C25H34N2O5S/c1-4-6-12-25(5-2)17-33(30,31)22-13-19(15-26-16-23(28)29)21(32-3)14-20(22)24(27-25)18-10-8-7-9-11-18/h7-11,13-14,24,26-27H,4-6,12,15-17H2,1-3H3,(H,28,29)/t24-,25-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...				J Med Chem 56: 5094-114 (2013) Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6
					More data for this Ligand-Target Pair