Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium/bile acid cotransporter' AND taxid = 10116   

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
Sodium/bile acid cotransporter (Rattus norvegicus)	BDBM50150325 (3-[4-(4-{[Benzyl-(3-methanesulfonylamino-2-methyl-...) Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(CCC(O)=O)cc2)cc1 Show InChI InChI=1S/C31H32N2O5S/c1-23-29(32-39(2,36)37)9-6-10-30(23)33(21-25-7-4-3-5-8-25)22-26-13-18-28(19-14-26)38-27-16-11-24(12-17-27)15-20-31(34)35/h3-14,16-19,32H,15,20-22H2,1-2H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]taurocholate uptake in rat hepatocytes				Bioorg Med Chem Lett 14: 4179-83 (2004) Article DOI: 10.1016/j.bmcl.2004.06.022 BindingDB Entry DOI: 10.7270/Q29S1RTK
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Rattus norvegicus)	BDBM50150349 (CHEMBL266407 | Methanesulfonamide derivative) Show SMILES C[C@@H](CCC(O)=O)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@@H](CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C)OCCNC(=O)CCc1ccc(Oc2ccc(CN(Cc3ccccc3)c3cccc(NS(C)(=O)=O)c3C)cc2)cc1 Show InChI InChI=1S/C57H75N3O9S/c1-37(14-27-54(64)65)46-24-25-47-55-48(34-52(62)57(46,47)4)56(3)29-28-45(32-42(56)33-51(55)61)68-31-30-58-53(63)26-19-39-15-20-43(21-16-39)69-44-22-17-41(18-23-44)36-60(35-40-10-7-6-8-11-40)50-13-9-12-49(38(50)2)59-70(5,66)67/h6-13,15-18,20-23,37,42,45-48,51-52,55,59,61-62H,14,19,24-36H2,1-5H3,(H,58,63)(H,64,65)/t37-,42+,45+,46-,47+,48+,51-,52+,55+,56+,57-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]taurocholate uptake in rat hepatocytes				Bioorg Med Chem Lett 14: 4179-83 (2004) Article DOI: 10.1016/j.bmcl.2004.06.022 BindingDB Entry DOI: 10.7270/Q29S1RTK
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Rattus norvegicus)	BDBM50375594 (TAUROCHOLATE) Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |r| Show InChI InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]taurocholate uptake in rat hepatocytes				Bioorg Med Chem Lett 14: 4179-83 (2004) Article DOI: 10.1016/j.bmcl.2004.06.022 BindingDB Entry DOI: 10.7270/Q29S1RTK
					More data for this Ligand-Target Pair