Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'dias' and Initial = 'tm'   

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))	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))	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))	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))	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
Ileal 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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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 human ileal 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
Ileal 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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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 human ileal 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
Transthyretin (Homo sapiens (Human))	BDBM408979 (US10377729, Compound 2OH-PCB80) Show SMILES [O-]c1c(Cl)cc(cc1Cl)-c1cc(Cl)c([O-])c(Cl)c1 Show InChI InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H/p-2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
BSIM Therapeutics, S.A. US Patent					Assay Description In vitro evaluation of inhibitory activity against WT-TTR amyloid fibril formation of AT09 and reference compounds. Reference compounds (thyroxine, t...				US Patent US10377729 (2019) BindingDB Entry DOI: 10.7270/Q2WM1GSC
					More data for this Ligand-Target Pair
Ileal 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	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 human ileal 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))	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
Transthyretin (Homo sapiens (Human))	BDBM408976 (US10377729, Compound AT09-B00) Show SMILES Cc1c(\C=C\c2occc2Cl)occ1C([O-])=O Show InChI InChI=1S/C12H9ClO4/c1-7-8(12(14)15)6-17-10(7)2-3-11-9(13)4-5-16-11/h2-6H,1H3,(H,14,15)/p-1/b3-2+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
BSIM Therapeutics, S.A. US Patent					Assay Description In vitro evaluation of inhibitory activity against WT-TTR amyloid fibril formation of AT09 and reference compounds. Reference compounds (thyroxine, t...				US Patent US10377729 (2019) BindingDB Entry DOI: 10.7270/Q2WM1GSC
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM408980 (Thyroxine | US10377729, T4) Show SMILES [NH3+][C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C([O-])=O |r| Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
BSIM Therapeutics, S.A. US Patent					Assay Description In vitro evaluation of inhibitory activity against WT-TTR amyloid fibril formation of AT09 and reference compounds. Reference compounds (thyroxine, t...				US Patent US10377729 (2019) BindingDB Entry DOI: 10.7270/Q2WM1GSC
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM408977 (US10377729, Compound AT09-B06) Show SMILES Cc1oc(\C=C\c2occc2Cl)cc1C([O-])=O Show InChI InChI=1S/C12H9ClO4/c1-7-9(12(14)15)6-8(17-7)2-3-11-10(13)4-5-16-11/h2-6H,1H3,(H,14,15)/p-1/b3-2+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
BSIM Therapeutics, S.A. US Patent					Assay Description In vitro evaluation of inhibitory activity against WT-TTR amyloid fibril formation of AT09 and reference compounds. Reference compounds (thyroxine, t...				US Patent US10377729 (2019) BindingDB Entry DOI: 10.7270/Q2WM1GSC
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM50197883 (CHEBI:78538 | FX-1006 | Tafamidis | US10377729, Co...) Show SMILES OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
BSIM Therapeutics, S.A. US Patent					Assay Description In vitro evaluation of inhibitory activity against WT-TTR amyloid fibril formation of AT09 and reference compounds. Reference compounds (thyroxine, t...				US Patent US10377729 (2019) BindingDB Entry DOI: 10.7270/Q2WM1GSC
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM50157081 (CHEMBL179911 | {(R)-4-[(4R,10aS,12S,12aR)-4,12-Dih...) Show SMILES C[C@H](CCC(=O)NCC(O)=O)C1CCC2C3[C@H](O)CC4Cc5nn(Cc6cccc(O)c6)cc5C[C@]4(C)C3C[C@H](O)[C@]12C Show InChI InChI=1S/C34H47N3O6/c1-19(7-10-30(41)35-16-31(42)43)24-8-9-25-32-26(14-29(40)34(24,25)3)33(2)15-21-18-37(17-20-5-4-6-23(38)11-20)36-27(21)12-22(33)13-28(32)39/h4-6,11,18-19,22,24-26,28-29,32,38-40H,7-10,12-17H2,1-3H3,(H,35,41)(H,42,43)/t19-,22?,24?,25?,26?,28-,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	8.60E+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
Ileal 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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	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 human ileal 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
Ileal 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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	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 human ileal 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
Ileal 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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	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 human ileal 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))	BDBM50157073 (2-[(4R)-4-[(2S,18R)-6-[(3-{[(2S)-2-(6-methoxynapht...) Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Oc1cccc(Cn2cc3C[C@@]4(C)C(CCC5C6CCC([C@H](C)CCC(=O)NCC(O)=O)[C@@]6(C)CCC45)Cc3n2)c1 Show InChI InChI=1S/C48H59N3O6/c1-29(9-18-44(52)49-26-45(53)54)40-16-17-41-39-15-13-36-24-43-35(25-48(36,4)42(39)19-20-47(40,41)3)28-51(50-43)27-31-7-6-8-38(21-31)57-46(55)30(2)32-10-11-34-23-37(56-5)14-12-33(34)22-32/h6-8,10-12,14,21-23,28-30,36,39-42H,9,13,15-20,24-27H2,1-5H3,(H,49,52)(H,53,54)/t29-,30+,36?,39?,40?,41?,42?,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	6.30E+4	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
Ileal 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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	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 human ileal 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
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50157073 (2-[(4R)-4-[(2S,18R)-6-[(3-{[(2S)-2-(6-methoxynapht...) Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Oc1cccc(Cn2cc3C[C@@]4(C)C(CCC5C6CCC([C@H](C)CCC(=O)NCC(O)=O)[C@@]6(C)CCC45)Cc3n2)c1 Show InChI InChI=1S/C48H59N3O6/c1-29(9-18-44(52)49-26-45(53)54)40-16-17-41-39-15-13-36-24-43-35(25-48(36,4)42(39)19-20-47(40,41)3)28-51(50-43)27-31-7-6-8-38(21-31)57-46(55)30(2)32-10-11-34-23-37(56-5)14-12-33(34)22-32/h6-8,10-12,14,21-23,28-30,36,39-42H,9,13,15-20,24-27H2,1-5H3,(H,49,52)(H,53,54)/t29-,30+,36?,39?,40?,41?,42?,47-,48+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	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 human ileal 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
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50157081 (CHEMBL179911 | {(R)-4-[(4R,10aS,12S,12aR)-4,12-Dih...) Show SMILES C[C@H](CCC(=O)NCC(O)=O)C1CCC2C3[C@H](O)CC4Cc5nn(Cc6cccc(O)c6)cc5C[C@]4(C)C3C[C@H](O)[C@]12C Show InChI InChI=1S/C34H47N3O6/c1-19(7-10-30(41)35-16-31(42)43)24-8-9-25-32-26(14-29(40)34(24,25)3)33(2)15-21-18-37(17-20-5-4-6-23(38)11-20)36-27(21)12-22(33)13-28(32)39/h4-6,11,18-19,22,24-26,28-29,32,38-40H,7-10,12-17H2,1-3H3,(H,35,41)(H,42,43)/t19-,22?,24?,25?,26?,28-,29+,32?,33+,34-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	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 human ileal 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
Ileal 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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	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 human ileal 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