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SMILES: CCCC[C@]1(CC)CS(=O)(=O)c2cc(OC)c(OC)cc2[C@H](N1)c1ccccc1

InChI Key: InChIKey=CKFWDLFFXXVSBJ-DHIUTWEWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50134411   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50134411 ((7R,9R)-7-Butyl-7-ethyl-2,3-dimethoxy-9-phenyl-6,7...) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OC)c(OC)cc2[C@H](N1)c1ccccc1 Show InChI InChI=1S/C23H31NO4S/c1-5-7-13-23(6-2)16-29(25,26)21-15-20(28-4)19(27-3)14-18(21)22(24-23)17-11-9-8-10-12-17/h8-12,14-15,22,24H,5-7,13,16H2,1-4H3/t22-,23-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against uptake of [14C]-taurocholate in baby hamster kidney cells transfected with cDNA from human Apical Sodium-Codepen...				Bioorg Med Chem Lett 13: 3727-30 (2003) BindingDB Entry DOI: 10.7270/Q2M044T4
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Rattus norvegicus)	BDBM50134411 ((7R,9R)-7-Butyl-7-ethyl-2,3-dimethoxy-9-phenyl-6,7...) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OC)c(OC)cc2[C@H](N1)c1ccccc1 Show InChI InChI=1S/C23H31NO4S/c1-5-7-13-23(6-2)16-29(25,26)21-15-20(28-4)19(27-3)14-18(21)22(24-23)17-11-9-8-10-12-17/h8-12,14-15,22,24H,5-7,13,16H2,1-4H3/t22-,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	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)	BDBM50134411 ((7R,9R)-7-Butyl-7-ethyl-2,3-dimethoxy-9-phenyl-6,7...) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OC)c(OC)cc2[C@H](N1)c1ccccc1 Show InChI InChI=1S/C23H31NO4S/c1-5-7-13-23(6-2)16-29(25,26)21-15-20(28-4)19(27-3)14-18(21)22(24-23)17-11-9-8-10-12-17/h8-12,14-15,22,24H,5-7,13,16H2,1-4H3/t22-,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	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))	BDBM50134411 ((7R,9R)-7-Butyl-7-ethyl-2,3-dimethoxy-9-phenyl-6,7...) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OC)c(OC)cc2[C@H](N1)c1ccccc1 Show InChI InChI=1S/C23H31NO4S/c1-5-7-13-23(6-2)16-29(25,26)21-15-20(28-4)19(27-3)14-18(21)22(24-23)17-11-9-8-10-12-17/h8-12,14-15,22,24H,5-7,13,16H2,1-4H3/t22-,23-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	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