Compile Data Set for Download or QSAR

Found 368 hits Enz. Inhib. hit(s) with Target = 'Sodium/bile acid cotransporter'   

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 (Homo sapiens (Human))	BDBM50421815 (CHEMBL5276478) Show SMILES COc1cc(Cc2cnc(N)nc2N)ccc1N Show InChI InChI=1S/C12H15N5O/c1-18-10-5-7(2-3-9(10)13)4-8-6-16-12(15)17-11(8)14/h2-3,5-6H,4,13H2,1H3,(H4,14,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50421812 (CHEMBL5279244) Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1O Show InChI InChI=1S/C16H22N4O/c1-3-5-12-7-10(6-11(4-2)14(12)21)8-13-9-19-16(18)20-15(13)17/h6-7,9,21H,3-5,8H2,1-2H3,(H4,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		4.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50421811 (CHEMBL5287944) Show SMILES CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1OCC Show InChI InChI=1S/C17H24N4O3/c1-4-22-13-8-11(7-12-10-20-17(19)21-16(12)18)9-14(23-5-2)15(13)24-6-3/h8-10H,4-7H2,1-3H3,(H4,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		5.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50421813 (CHEMBL5272039) Show SMILES Nc1ncc(Cc2cc(Cl)c(N)c(Cl)c2)c(N)n1 Show InChI InChI=1S/C11H11Cl2N5/c12-7-2-5(3-8(13)9(7)14)1-6-4-17-11(16)18-10(6)15/h2-4H,1,14H2,(H4,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		9.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50421814 (CHEMBL5287717) Show SMILES COc1c(I)cc(Cc2cnc(N)nc2N)cc1I Show InChI InChI=1S/C12H12I2N4O/c1-19-10-8(13)3-6(4-9(10)14)2-7-5-17-12(16)18-11(7)15/h3-5H,2H2,1H3,(H4,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50042235 (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...) Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01097 BindingDB Entry DOI: 10.7270/Q2X352HG
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50088504 (A-84538 | ABBOTT-84538 | CHEBI:45409 | Norvir | Ri...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01097 BindingDB Entry DOI: 10.7270/Q2X352HG
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50371521 (EZETIMIBE) Show SMILES O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01097 BindingDB Entry DOI: 10.7270/Q2X352HG
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576171 (CHEMBL4875567) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NC(=O)CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells pretreated for 2 hrs followed by [3H]-TCA addition in absence of FBS				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
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 (Homo sapiens (Human))	BDBM50576165 (CHEMBL4875540) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NC(=O)CCCC(=O)N[C@@H]1CC[C@@]2(C)[C@]([H])(C[C@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]4(C)CC[C@]23[H])C1)[C@H](C)CCC(=O)NCCS(O)(=O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells after 2 hrs				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576162 (CHEMBL4849233) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells after 2 hrs				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576163 (CHEMBL4864019) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCC(=O)O[C@@H]1CC[C@@]2(C)[C@]([H])(C[C@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]4(C)CC[C@]23[H])C1)[C@H](C)CCC(=O)NCCS(O)(=O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells after 2 hrs				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576164 (CHEMBL4869726) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OCc1cn(nn1)[C@@H]1CC[C@@]2(C)[C@]([H])(C[C@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]4(C)CC[C@]23[H])C1)[C@H](C)CCC(=O)NCCS(O)(=O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells after 2 hrs				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576166 (CHEMBL4861143) Show SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])[C@@H](O)C[C@]5([H])C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C)NC(=O)CCCC(=O)N[C@@H]1CC[C@@]3(C)[C@@]([H])(C1)C[C@H](O)[C@@]1([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCNC(=O)CC[C@H]2C)[C@@]4(C)CC[C@]31[H] |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells after 2 hrs				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576168 (CHEMBL4855155) Show SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])[C@@H](O)C[C@]5([H])C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C)n1cc(CO[C@@H]3CC[C@@]4(C)[C@@]([H])(C3)C[C@H](O)[C@@]3([H])[C@]5([H])CC[C@]([H])([C@H](C)CCC(=O)NC(CNC(=O)CC[C@H]2C)C(O)=O)[C@@]5(C)CC[C@]43[H])nn1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells pretreated for 2 hrs followed by [3H]-TCA addition in absence of FBS				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576169 (CHEMBL4865557) Show SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])[C@@H](O)C[C@]5([H])C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C)n1cc(CO[C@@H]3CC[C@@]4(C)[C@@]([H])(C3)C[C@H](O)[C@@]3([H])[C@]5([H])CC[C@]([H])([C@H](C)CCC(=O)NC(CNC(=O)CC[C@H]2C)C(=O)NCCS(O)(=O)=O)[C@@]5(C)CC[C@]43[H])nn1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells pretreated for 2 hrs followed by [3H]-TCA addition in absence of FBS				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576167 (CHEMBL4862057) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)n1cc(CC[C@@H](C)[C@@]2([H])CC[C@@]3([H])[C@]4([H])[C@@H](O)C[C@]5([H])C[C@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]23C)nn1)[C@H](C)CCC(=O)NCCS(O)(=O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells pretreated for 2 hrs followed by [3H]-TCA addition in absence of FBS				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576162 (CHEMBL4849233) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells pretreated for 2 hrs followed by [3H]-TCA addition in absence of FBS				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576170 (CHEMBL4858170) Show SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])[C@@H](O)C[C@]5([H])C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C)OCc1cn(nn1)[C@@H]1CC[C@@]3(C)[C@]([H])(C[C@H](O)[C@@]4([H])[C@]5([H])CC[C@]([H])([C@H](C)CCC(=O)NCCNC(=O)CC[C@H]2C)[C@@]5(C)CC[C@]34[H])C1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells pretreated for 2 hrs followed by [3H]-TCA addition in absence of FBS				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576169 (CHEMBL4865557) Show SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])[C@@H](O)C[C@]5([H])C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C)n1cc(CO[C@@H]3CC[C@@]4(C)[C@@]([H])(C3)C[C@H](O)[C@@]3([H])[C@]5([H])CC[C@]([H])([C@H](C)CCC(=O)NC(CNC(=O)CC[C@H]2C)C(=O)NCCS(O)(=O)=O)[C@@]5(C)CC[C@]43[H])nn1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells in presence of 20 % FBS				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576165 (CHEMBL4875540) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NC(=O)CCCC(=O)N[C@@H]1CC[C@@]2(C)[C@]([H])(C[C@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]4(C)CC[C@]23[H])C1)[C@H](C)CCC(=O)NCCS(O)(=O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50556959 (CHEMBL4781848) Show SMILES [H][C@]1(O[C@H](C[C@H]1C)Sc1cccc(OCc2ccccc2)c1)[C@]1([H])N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells incubated for 2 hrs followed by substrate addition and measured for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01484 BindingDB Entry DOI: 10.7270/Q2F76H7P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576169 (CHEMBL4865557) Show SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])[C@@H](O)C[C@]5([H])C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C)n1cc(CO[C@@H]3CC[C@@]4(C)[C@@]([H])(C3)C[C@H](O)[C@@]3([H])[C@]5([H])CC[C@]([H])([C@H](C)CCC(=O)NC(CNC(=O)CC[C@H]2C)C(=O)NCCS(O)(=O)=O)[C@@]5(C)CC[C@]43[H])nn1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells in presence of 50 % FBS				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576168 (CHEMBL4855155) Show SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])[C@@H](O)C[C@]5([H])C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C)n1cc(CO[C@@H]3CC[C@@]4(C)[C@@]([H])(C3)C[C@H](O)[C@@]3([H])[C@]5([H])CC[C@]([H])([C@H](C)CCC(=O)NC(CNC(=O)CC[C@H]2C)C(O)=O)[C@@]5(C)CC[C@]43[H])nn1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells in presence of 20 % FBS				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50576168 (CHEMBL4855155) Show SMILES [H][C@]12CC[C@@]3([H])[C@]4([H])[C@@H](O)C[C@]5([H])C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C)n1cc(CO[C@@H]3CC[C@@]4(C)[C@@]([H])(C3)C[C@H](O)[C@@]3([H])[C@]5([H])CC[C@]([H])([C@H](C)CCC(=O)NC(CNC(=O)CC[C@H]2C)C(O)=O)[C@@]5(C)CC[C@]43[H])nn1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells in presence of 50 % FBS				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00078 BindingDB Entry DOI: 10.7270/Q27948HF
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50157077 (CHEMBL184982 | {(R)-4-[(4R,10aS,12aR)-4-Hydroxy-8-...) Show SMILES C[C@H](CCC(=O)NCC(O)=O)C1CCC2C3[C@H](O)CC4Cc5nn(CCO)cc5C[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C29H45N3O5/c1-17(4-7-25(35)30-15-26(36)37)20-5-6-21-27-22(8-9-28(20,21)2)29(3)14-18-16-32(10-11-33)31-23(18)12-19(29)13-24(27)34/h16-17,19-22,24,27,33-34H,4-15H2,1-3H3,(H,30,35)(H,36,37)/t17-,19?,20?,21?,22?,24-,27?,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
XenoPort Inc. Curated by ChEMBL					Assay Description In vitro inhibition of taurocholate binding to liver bile acid transporter expressed in CHO cells				Bioorg Med Chem Lett 15: 85-7 (2004) Article DOI: 10.1016/j.bmcl.2004.10.027 BindingDB Entry DOI: 10.7270/Q2VT1RKR
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50157075 (2-[(4R)-4-[(2S,18R)-6-{2-[(6,7-dimethoxy-1,2,3,4-t...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)OCCn1cc2C[C@@]3(C)C(CCC4C5CCC([C@H](C)CCC(=O)NCC(O)=O)[C@@]5(C)CCC34)Cc2n1 Show InChI InChI=1S/C41H58N4O7/c1-25(6-11-37(46)42-22-38(47)48)31-9-10-32-30-8-7-29-20-34-28(21-41(29,3)33(30)12-14-40(31,32)2)24-45(43-34)16-17-52-39(49)44-15-13-26-18-35(50-4)36(51-5)19-27(26)23-44/h18-19,24-25,29-33H,6-17,20-23H2,1-5H3,(H,42,46)(H,47,48)/t25-,29?,30?,31?,32?,33?,40-,41+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
XenoPort Inc. Curated by ChEMBL					Assay Description In vitro inhibition of taurocholate binding to liver bile acid transporter expressed in CHO cells				Bioorg Med Chem Lett 15: 85-7 (2004) Article DOI: 10.1016/j.bmcl.2004.10.027 BindingDB Entry DOI: 10.7270/Q2VT1RKR
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50157072 (CHEMBL367757 | {(R)-4-[(10aS,12aR)-8-(3-Hydroxy-be...) Show SMILES C[C@H](CCC(=O)NCC(O)=O)C1CCC2C3CCC4Cc5nn(Cc6cccc(O)c6)cc5C[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C34H47N3O4/c1-21(7-12-31(39)35-18-32(40)41)27-10-11-28-26-9-8-24-16-30-23(17-34(24,3)29(26)13-14-33(27,28)2)20-37(36-30)19-22-5-4-6-25(38)15-22/h4-6,15,20-21,24,26-29,38H,7-14,16-19H2,1-3H3,(H,35,39)(H,40,41)/t21-,24?,26?,27?,28?,29?,33-,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
XenoPort Inc. Curated by ChEMBL					Assay Description In vitro inhibition of taurocholate binding to liver bile acid transporter expressed in CHO cells				Bioorg Med Chem Lett 15: 85-7 (2004) Article DOI: 10.1016/j.bmcl.2004.10.027 BindingDB Entry DOI: 10.7270/Q2VT1RKR
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50157079 (CHEMBL182301 | [(R)-4-((4R,10aS,12aR)-4-Hydroxy-10...) Show SMILES C[C@H](CCC(=O)NCC(O)=O)C1CCC2C3[C@H](O)CC4Cc5[nH]ncc5C[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C27H41N3O4/c1-15(4-7-23(32)28-14-24(33)34)18-5-6-19-25-20(8-9-26(18,19)2)27(3)12-16-13-29-30-21(16)10-17(27)11-22(25)31/h13,15,17-20,22,25,31H,4-12,14H2,1-3H3,(H,28,32)(H,29,30)(H,33,34)/t15-,17?,18?,19?,20?,22-,25?,26-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
XenoPort Inc. Curated by ChEMBL					Assay Description In vitro inhibition of taurocholate binding to liver bile acid transporter expressed in CHO cells				Bioorg Med Chem Lett 15: 85-7 (2004) Article DOI: 10.1016/j.bmcl.2004.10.027 BindingDB Entry DOI: 10.7270/Q2VT1RKR
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50157074 (CHEMBL182671 | {(R)-4-[(4R,10aS,12aR)-4-Hydroxy-8-...) Show SMILES C[C@H](CCC(=O)NCC(O)=O)C1CCC2C3[C@H](O)CC4Cc5nn(Cc6cccc(O)c6)cc5C[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C34H47N3O5/c1-20(7-10-30(40)35-17-31(41)42)25-8-9-26-32-27(11-12-33(25,26)2)34(3)16-22-19-37(18-21-5-4-6-24(38)13-21)36-28(22)14-23(34)15-29(32)39/h4-6,13,19-20,23,25-27,29,32,38-39H,7-12,14-18H2,1-3H3,(H,35,40)(H,41,42)/t20-,23?,25?,26?,27?,29-,32?,33-,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
XenoPort Inc. Curated by ChEMBL					Assay Description In vitro inhibition of taurocholate binding to liver bile acid transporter expressed in CHO cells				Bioorg Med Chem Lett 15: 85-7 (2004) Article DOI: 10.1016/j.bmcl.2004.10.027 BindingDB Entry DOI: 10.7270/Q2VT1RKR
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50157076 (CHEMBL185033 | {(R)-4-[(10aS,12aR)-8-(2-Hydroxy-et...) Show SMILES C[C@H](CCC(=O)NCC(O)=O)C1CCC2C3CCC4Cc5nn(CCO)cc5C[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C29H45N3O4/c1-18(4-9-26(34)30-16-27(35)36)22-7-8-23-21-6-5-20-14-25-19(17-32(31-25)12-13-33)15-29(20,3)24(21)10-11-28(22,23)2/h17-18,20-24,33H,4-16H2,1-3H3,(H,30,34)(H,35,36)/t18-,20?,21?,22?,23?,24?,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
XenoPort Inc. Curated by ChEMBL					Assay Description In vitro inhibition of taurocholate binding to liver bile acid transporter expressed in CHO cells				Bioorg Med Chem Lett 15: 85-7 (2004) Article DOI: 10.1016/j.bmcl.2004.10.027 BindingDB Entry DOI: 10.7270/Q2VT1RKR
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Taurocholate uptake in NTCP-expressing HeLa cells				J Pharmacol Exp Ther 291: 1204-9 (1999) BindingDB Entry DOI: 10.7270/Q2NS0W06
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50009073 (4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01097 BindingDB Entry DOI: 10.7270/Q2X352HG
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50103596 ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...) Show SMILES OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01097 BindingDB Entry DOI: 10.7270/Q2X352HG
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50113317 (Bis[4-Amino-5-hydroxy-6-(2-methoxy-phenylazo)-naph...) Show SMILES COc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S(O)(=O)=O)S(O)(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S(O)(=O)=O)S(O)(=O)=O)c(OC)c1 |w:9.10,34.36| Show InChI InChI=1S/C34H28N6O16S4/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01097 BindingDB Entry DOI: 10.7270/Q2X352HG
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50157078 (CHEMBL185179 | [(R)-4-((10aS,12aR)-10a,12a-Dimethy...) Show SMILES C[C@H](CCC(=O)NCC(O)=O)C1CCC2C3CCC4Cc5[nH]ncc5C[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C27H41N3O3/c1-16(4-9-24(31)28-15-25(32)33)20-7-8-21-19-6-5-18-12-23-17(14-29-30-23)13-27(18,3)22(19)10-11-26(20,21)2/h14,16,18-22H,4-13,15H2,1-3H3,(H,28,31)(H,29,30)(H,32,33)/t16-,18?,19?,20?,21?,22?,26-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
XenoPort Inc. Curated by ChEMBL					Assay Description In vitro inhibition of taurocholate binding to liver bile acid transporter expressed in CHO cells				Bioorg Med Chem Lett 15: 85-7 (2004) Article DOI: 10.1016/j.bmcl.2004.10.027 BindingDB Entry DOI: 10.7270/Q2VT1RKR
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50386790 (CHEMBL1829174 | CHEMBL2047159 | TAK-875 | US119052...) Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r| Show InChI InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southwest Jiaotong University Curated by ChEMBL					Assay Description Inhibition of NTCP in human hepatocytes				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126623 BindingDB Entry DOI: 10.7270/Q2GM8BR6
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50157080 (2-[(4R)-4-[(2S,12R,18R)-12-hydroxy-6-[(3-{[(2S)-2-...) Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Oc1cccc(Cn2cc3C[C@@]4(C)C(C[C@@H](O)C5C6CCC([C@H](C)CCC(=O)NCC(O)=O)[C@@]6(C)CCC45)Cc3n2)c1 Show InChI InChI=1S/C48H59N3O7/c1-28(9-16-43(53)49-25-44(54)55)38-14-15-39-45-40(17-18-47(38,39)3)48(4)24-34-27-51(50-41(34)22-35(48)23-42(45)52)26-30-7-6-8-37(19-30)58-46(56)29(2)31-10-11-33-21-36(57-5)13-12-32(33)20-31/h6-8,10-13,19-21,27-29,35,38-40,42,45,52H,9,14-18,22-26H2,1-5H3,(H,49,53)(H,54,55)/t28-,29+,35?,38?,39?,40?,42-,45?,47-,48+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
XenoPort Inc. Curated by ChEMBL					Assay Description In vitro inhibition of taurocholate binding to liver bile acid transporter expressed in CHO cells				Bioorg Med Chem Lett 15: 85-7 (2004) Article DOI: 10.1016/j.bmcl.2004.10.027 BindingDB Entry DOI: 10.7270/Q2VT1RKR
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM53721 ((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...) 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](O)CC[C@]4(C)[C@H]3CC[C@]12C Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Taurocholate uptake in NTCP-expressing HeLa cells				J Pharmacol Exp Ther 291: 1204-9 (1999) BindingDB Entry DOI: 10.7270/Q2NS0W06
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50601893 (DIHYDROBETULIN | Dihydrobetulin) Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01097 BindingDB Entry DOI: 10.7270/Q2X352HG
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southwest Jiaotong University Curated by ChEMBL					Assay Description Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126623 BindingDB Entry DOI: 10.7270/Q2GM8BR6
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Taurocholate uptake in NTCP-expressing HeLa cells				J Pharmacol Exp Ther 291: 1204-9 (1999) BindingDB Entry DOI: 10.7270/Q2NS0W06
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM25761 (Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...) Show SMILES CC(C)NCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Taurocholate uptake in NTCP-expressing HeLa cells				J Pharmacol Exp Ther 291: 1204-9 (1999) BindingDB Entry DOI: 10.7270/Q2NS0W06
					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
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50601888 (Betulin-3-Caffeate | Betulin-3Beta-Caffeate | CHEM...) Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)\C=C\c4ccc(O)c(O)c4)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01097 BindingDB Entry DOI: 10.7270/Q2X352HG
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50246936 ((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...) Show SMILES CC(C)NC[C@H](O)COc1cccc2ccccc12 |r| Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Taurocholate uptake in NTCP-expressing HeLa cells				J Pharmacol Exp Ther 291: 1204-9 (1999) BindingDB Entry DOI: 10.7270/Q2NS0W06
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50009073 (4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...) Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southwest Jiaotong University Curated by ChEMBL					Assay Description Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126623 BindingDB Entry DOI: 10.7270/Q2GM8BR6
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50601891 (CHEMBL5184124) Show SMILES O[C@@H]([C@H]([C@H](Nc1ccccn1)c1ccccc1)c1ccccn1)c1ccc(cc1)[C@@H](O)[C@H]([C@H](Nc1ccccn1)c1ccccc1)c1ccccn1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01097 BindingDB Entry DOI: 10.7270/Q2X352HG
					More data for this Ligand-Target Pair

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