Compile Data Set for Download or QSAR

Found 138 hits Enz. Inhib. hit(s) with all data for entry = 3420   

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))	BDBM399986 (7-(2-(tert-Butylamino)-2-oxoacetyl)-6-chloro-N-(3-...) Show SMILES CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2CCCc12)C(F)(F)F Show InChI InChI=1S/C20H18ClF4N3O3/c1-9-15(17(29)19(31)26-10(2)20(23,24)25)14-4-3-7-28(14)16(9)18(30)27-11-5-6-13(22)12(21)8-11/h5-6,8,10H,3-4,7H2,1-2H3,(H,26,31)(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	27.1	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400024 (N-(3-chloro-4-fluorophenyl)-7-(2-((3,3-difluoro-1-...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2CCCc12 Show InChI InChI=1S/C23H22ClF3N4O4/c1-11-16(18(32)20(34)30-22(21(35)28-2)9-23(26,27)10-22)15-4-3-7-31(15)17(11)19(33)29-12-5-6-14(25)13(24)8-12/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	14.9	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400025 ((1aS,6aS)-N-(3-chloro-4-fluorophenyl)-5-(2-((3,3-d...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2[C@H]3C[C@H]3Cc12 |r| Show InChI InChI=1S/C24H22ClF3N4O4/c1-10-17(19(33)21(35)31-23(22(36)29-2)8-24(27,28)9-23)16-6-11-5-15(11)32(16)18(10)20(34)30-12-3-4-14(26)13(25)7-12/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,29,36)(H,30,34)(H,31,35)/t11-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	63.6	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400026 ((1aR,6aR)-N-(3-chloro-4-fluorophenyl)-5-(2-((3,3-d...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2[C@@H]3C[C@@H]3Cc12 |r| Show InChI InChI=1S/C24H22ClF3N4O4/c1-10-17(19(33)21(35)31-23(22(36)29-2)8-24(27,28)9-23)16-6-11-5-15(11)32(16)18(10)20(34)30-12-3-4-14(26)13(25)7-12/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,29,36)(H,30,34)(H,31,35)/t11-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8.80	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400027 (7-(2-((1-(1H-1,2,3-Triazol-4-yl)cyclopropyl)amino)...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C22H20ClFN6O3/c1-11-17(19(31)21(33)27-22(6-7-22)16-10-25-29-28-16)15-3-2-8-30(15)18(11)20(32)26-12-4-5-14(24)13(23)9-12/h4-5,9-10H,2-3,6-8H2,1H3,(H,26,32)(H,27,33)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11.1	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400028 (N-(3-chloro-4-fluorophenyl)-6-methyl-7-(2-oxo-2-((...) Show SMILES Cc1c(C(=O)C(=O)NC2(COC2)C(F)(F)F)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C21H18ClF4N3O4/c1-10-15(17(30)19(32)28-20(8-33-9-20)21(24,25)26)14-3-2-6-29(14)16(10)18(31)27-11-4-5-13(23)12(22)7-11/h4-5,7H,2-3,6,8-9H2,1H3,(H,27,31)(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.80	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400029 (N-(3-chloro-4-fluorophenyl)-7-(2-((3,3-difluoro-1-...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)C(=O)NC2(C)CS(=O)(=O)C2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C26H26ClF3N4O6S/c1-13-18(17-4-3-7-34(17)19(13)21(36)31-14-5-6-16(28)15(27)8-14)20(35)22(37)32-25(9-26(29,30)10-25)23(38)33-24(2)11-41(39,40)12-24/h5-6,8H,3-4,7,9-12H2,1-2H3,(H,31,36)(H,32,37)(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	72	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400029 (N-(3-chloro-4-fluorophenyl)-7-(2-((3,3-difluoro-1-...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)C(=O)NC2(C)CS(=O)(=O)C2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C26H26ClF3N4O6S/c1-13-18(17-4-3-7-34(17)19(13)21(36)31-14-5-6-16(28)15(27)8-14)20(35)22(37)32-25(9-26(29,30)10-25)23(38)33-24(2)11-41(39,40)12-24/h5-6,8H,3-4,7,9-12H2,1-2H3,(H,31,36)(H,32,37)(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	103	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400031 (7-(2-((1-((2-oxa-6-azaspiro[3.3]heptan-6-yl)methyl...) Show SMILES Cc1c(C(=O)C(=O)NC2(CN3CC4(COC4)C3)CC(F)(F)C2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C27H28ClF3N4O4/c1-15-20(19-3-2-6-35(19)21(15)23(37)32-16-4-5-18(29)17(28)7-16)22(36)24(38)33-26(8-27(30,31)9-26)12-34-10-25(11-34)13-39-14-25/h4-5,7H,2-3,6,8-14H2,1H3,(H,32,37)(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	56.1	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400032 (N-(3-chloro-4-fluorophenyl)-7-(2-((3,3-difluoro-1-...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)C(=O)N2CCC22COC2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C27H26ClF3N4O5/c1-14-19(18-3-2-7-34(18)20(14)22(37)32-15-4-5-17(29)16(28)9-15)21(36)23(38)33-26(10-27(30,31)11-26)24(39)35-8-6-25(35)12-40-13-25/h4-5,9H,2-3,6-8,10-13H2,1H3,(H,32,37)(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.70	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400033 (7-(2-((1-(1,3,4-thiadiazol-2-yl)cyclopropyl)amino)...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC2)c2nncs2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C22H19ClFN5O3S/c1-11-16(18(30)20(32)27-22(6-7-22)21-28-25-10-33-21)15-3-2-8-29(15)17(11)19(31)26-12-4-5-14(24)13(23)9-12/h4-5,9-10H,2-3,6-8H2,1H3,(H,26,31)(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400035 (N-(3-chloro-4-fluorophenyl)-7-(2-((3,3-difluoro-1-...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)C(=O)N2CC(F)C2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C25H23ClF4N4O4/c1-12-18(17-3-2-6-34(17)19(12)21(36)31-14-4-5-16(28)15(26)7-14)20(35)22(37)32-24(10-25(29,30)11-24)23(38)33-8-13(27)9-33/h4-5,7,13H,2-3,6,8-11H2,1H3,(H,31,36)(H,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8.80	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400036 (N-(3-chloro-4-fluorophenyl)-7-(2-((3,3-difluoro-1-...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2c1CCC2(C)C Show InChI InChI=1S/C25H26ClF3N4O4/c1-12-17(19(34)21(36)32-24(22(37)30-4)10-25(28,29)11-24)16-7-8-23(2,3)33(16)18(12)20(35)31-13-5-6-15(27)14(26)9-13/h5-6,9H,7-8,10-11H2,1-4H3,(H,30,37)(H,31,35)(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	45.8	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400037 ((R)-N-(3-chloro-4-fluorophenyl)-7-(2-((3,3-difluor...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2C[C@H](O)Cc12 |r| Show InChI InChI=1S/C23H22ClF3N4O5/c1-10-16(18(33)20(35)30-22(21(36)28-2)8-23(26,27)9-22)15-6-12(32)7-31(15)17(10)19(34)29-11-3-4-14(25)13(24)5-11/h3-5,12,32H,6-9H2,1-2H3,(H,28,36)(H,29,34)(H,30,35)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	456	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400038 ((R)-N-(3-chloro-4-fluorophenyl)-3,3,6-trimethyl-7-...) Show SMILES CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2c1CCC2(C)C)C(F)(F)F Show InChI InChI=1S/C22H22ClF4N3O3/c1-10-16(18(31)20(33)28-11(2)22(25,26)27)15-7-8-21(3,4)30(15)17(10)19(32)29-12-5-6-14(24)13(23)9-12/h5-6,9,11H,7-8H2,1-4H3,(H,28,33)(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	64.5	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400039 (N-(3-chloro-4-fluorophenyl)-7-(2-((3,3-difluoro-1-...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2C(C)CCc12 Show InChI InChI=1S/C24H24ClF3N4O4/c1-11-4-7-16-17(19(33)21(35)31-23(22(36)29-3)9-24(27,28)10-23)12(2)18(32(11)16)20(34)30-13-5-6-15(26)14(25)8-13/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	33.2	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400040 (N-(3-cyano-4-fluorophenyl)-7-(2-((3,3-difluoro-1-(...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(c2)C#N)n2C(C)CCc12 Show InChI InChI=1S/C25H24F3N5O4/c1-12-4-7-17-18(20(34)22(36)32-24(23(37)30-3)10-25(27,28)11-24)13(2)19(33(12)17)21(35)31-15-5-6-16(26)14(8-15)9-29/h5-6,8,12H,4,7,10-11H2,1-3H3,(H,30,37)(H,31,35)(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	167	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400042 (N-(3-chloro-4-fluorophenyl)-3,6-dimethyl-7-(2-oxo-...) Show SMILES C[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2C(C)CCc12)C(F)(F)F |r| Show InChI InChI=1S/C21H20ClF4N3O3/c1-9-4-7-15-16(18(30)20(32)27-11(3)21(24,25)26)10(2)17(29(9)15)19(31)28-12-5-6-14(23)13(22)8-12/h5-6,8-9,11H,4,7H2,1-3H3,(H,27,32)(H,28,31)/t9?,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	49.4	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400043 (N-(3-chloro-4-fluorophenyl)-6-methyl-7-(2-((3-meth...) Show SMILES Cc1c(C(=O)C(=O)NC2(C)CS(=O)(=O)C2)c2CCCn2c1C(=O)Nc1ccc(F)c(c1)C#N Show InChI InChI=1S/C22H21FN4O5S/c1-12-17(19(28)21(30)26-22(2)10-33(31,32)11-22)16-4-3-7-27(16)18(12)20(29)25-14-5-6-15(23)13(8-14)9-24/h5-6,8H,3-4,7,10-11H2,1-2H3,(H,25,29)(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	20.1	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400044 (US10328053, Compound 22 | US10874640, Compound 22 ...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2[C@H](C)CCc12 |r| Show InChI InChI=1S/C24H24ClF3N4O4/c1-11-4-7-16-17(19(33)21(35)31-23(22(36)29-3)9-24(27,28)10-23)12(2)18(32(11)16)20(34)30-13-5-6-15(26)14(25)8-13/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400045 (US10328053, Compound 23 | US10874640, Compound 23 ...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2[C@@H](C)CCc12 |r| Show InChI InChI=1S/C24H24ClF3N4O4/c1-11-4-7-16-17(19(33)21(35)31-23(22(36)29-3)9-24(27,28)10-23)12(2)18(32(11)16)20(34)30-13-5-6-15(26)14(25)8-13/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	66	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400046 (US10328053, Compound 24 | US20230270719, Compound ...) Show SMILES C[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2[C@H](C)CCc12)C(F)(F)F |r| Show InChI InChI=1S/C21H20ClF4N3O3/c1-9-4-7-15-16(18(30)20(32)27-11(3)21(24,25)26)10(2)17(29(9)15)19(31)28-12-5-6-14(23)13(22)8-12/h5-6,8-9,11H,4,7H2,1-3H3,(H,27,32)(H,28,31)/t9-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	43.7	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400047 (US10328053, Compound 25 | US10874640, Compound 25 ...) Show SMILES C[C@@H](NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2[C@@H](C)CCc12)C(F)(F)F |r| Show InChI InChI=1S/C21H20ClF4N3O3/c1-9-4-7-15-16(18(30)20(32)27-11(3)21(24,25)26)10(2)17(29(9)15)19(31)28-12-5-6-14(23)13(22)8-12/h5-6,8-9,11H,4,7H2,1-3H3,(H,27,32)(H,28,31)/t9-,11+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	408	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400048 (N-(3-chloro-4-fluorophenyl)-7-(2-((3,3-difluoro-1-...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H19F3N6O3/c1-10-16(19(32)21(34)28-22(4-5-22)15-9-26-30-29-15)14-3-2-6-31(14)18(10)20(33)27-11-7-12(23)17(25)13(24)8-11/h7-9H,2-6H2,1H3,(H,27,33)(H,28,34)(H,26,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	14.6	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400049 (N-(3-chloro-4-fluorophenyl)-7-(2-((3,3-difluoro-1-...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)C(=O)N2CC3(COC3)C2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C27H26ClF3N4O5/c1-14-19(18-3-2-6-35(18)20(14)22(37)32-15-4-5-17(29)16(28)7-15)21(36)23(38)33-26(8-27(30,31)9-26)24(39)34-10-25(11-34)12-40-13-25/h4-5,7H,2-3,6,8-13H2,1H3,(H,32,37)(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	32.3	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400050 (N-(3-chloro-4-fluorophenyl)-7-(2-((3,3-difluoro-1-...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)C(=O)N2CC3(C2)CN(C3)S(C)(=O)=O)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C28H29ClF3N5O6S/c1-15-20(19-4-3-7-37(19)21(15)23(39)33-16-5-6-18(30)17(29)8-16)22(38)24(40)34-27(9-28(31,32)10-27)25(41)35-11-26(12-35)13-36(14-26)44(2,42)43/h5-6,8H,3-4,7,9-14H2,1-2H3,(H,33,39)(H,34,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400051 (N-(3-chloro-4-fluorophenyl)-7-(2-((3,3-difluoro-1-...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C23H20ClF3N6O3/c1-11-17(19(34)21(36)30-22(9-23(26,27)10-22)16-8-28-32-31-16)15-3-2-6-33(15)18(11)20(35)29-12-4-5-14(25)13(24)7-12/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,29,35)(H,30,36)(H,28,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400052 ((1aR,6aR)-N-(3-cyano-4-fluorophenyl)-5-(2-((3,3-di...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(c2)C#N)n2[C@@H]3C[C@@H]3Cc12 |r| Show InChI InChI=1S/C25H22F3N5O4/c1-11-18(20(34)22(36)32-24(23(37)30-2)9-25(27,28)10-24)17-7-12-6-16(12)33(17)19(11)21(35)31-14-3-4-15(26)13(5-14)8-29/h3-5,12,16H,6-7,9-10H2,1-2H3,(H,30,37)(H,31,35)(H,32,36)/t12-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	58.1	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400053 (7-(2-((3,3-difluoro-1-(1H-1,2,3-triazol-4-yl)cyclo...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C23H20F4N6O3/c1-11-17(19(34)21(36)30-22(9-23(26,27)10-22)16-8-28-32-31-16)15-3-2-6-33(15)18(11)20(35)29-12-4-5-13(24)14(25)7-12/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,29,35)(H,30,36)(H,28,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400054 (7-(2-((3,3-difluoro-1-(1H-1,2,3-triazol-4-yl)cyclo...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C23H21F3N6O3/c1-12-17(19(33)21(35)29-22(10-23(25,26)11-22)16-9-27-31-30-16)15-3-2-8-32(15)18(12)20(34)28-14-6-4-13(24)5-7-14/h4-7,9H,2-3,8,10-11H2,1H3,(H,28,34)(H,29,35)(H,27,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8.5	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400055 ((1aS,6bR)-N-(3-chloro-4-fluorophenyl)-6-(2-((3,3-d...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)OC)n2C[C@H]3C[C@H]3c12 |r| Show InChI InChI=1S/C19H21F2N3O5/c1-8-11(13-10-4-9(10)5-24(13)12(8)16(27)29-3)14(25)15(26)23-18(17(28)22-2)6-19(20,21)7-18/h9-10H,4-7H2,1-3H3,(H,22,28)(H,23,26)/t9-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	27.2	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400056 (US10328053, Compound 34) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)OC)n2C[C@@H]3C[C@@H]3c12 |r| Show InChI InChI=1S/C19H21F2N3O5/c1-8-11(13-10-4-9(10)5-24(13)12(8)16(27)29-3)14(25)15(26)23-18(17(28)22-2)6-19(20,21)7-18/h9-10H,4-7H2,1-3H3,(H,22,28)(H,23,26)/t9-,10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	202	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400057 (N-(3-cyano-4-fluorophenyl)-7-(2-((3,3-difluoro-1-(...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(c2)C#N)n2CCCc12 Show InChI InChI=1S/C24H22F3N5O4/c1-12-17(19(33)21(35)31-23(22(36)29-2)10-24(26,27)11-23)16-4-3-7-32(16)18(12)20(34)30-14-5-6-15(25)13(8-14)9-28/h5-6,8H,3-4,7,10-11H2,1-2H3,(H,29,36)(H,30,34)(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	109	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400058 (7-(2-((3,3-difluoro-1-(methylcarbamoyl)cyclobutyl)...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2cc(F)c(F)c(F)c2)n2CCCc12 Show InChI InChI=1S/C23H21F5N4O4/c1-10-15(18(33)20(35)31-22(21(36)29-2)8-23(27,28)9-22)14-4-3-5-32(14)17(10)19(34)30-11-6-12(24)16(26)13(25)7-11/h6-7H,3-5,8-9H2,1-2H3,(H,29,36)(H,30,34)(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400059 (N-(3-cyano-4-fluorophenyl)-7-(2-((3,3-difluoro-1-(...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(c1)C#N Show InChI InChI=1S/C24H20F3N7O3/c1-12-18(20(35)22(37)31-23(10-24(26,27)11-23)17-9-29-33-32-17)16-3-2-6-34(16)19(12)21(36)30-14-4-5-15(25)13(7-14)8-28/h4-5,7,9H,2-3,6,10-11H2,1H3,(H,30,36)(H,31,37)(H,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.60	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400060 ((1aR,6aR)-5-(2-((3,3-difluoro-1-(methylcarbamoyl)c...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2cc(F)c(F)c(F)c2)n2[C@@H]3C[C@@H]3Cc12 |r| Show InChI InChI=1S/C24H21F5N4O4/c1-9-16(19(34)21(36)32-23(22(37)30-2)7-24(28,29)8-23)15-4-10-3-14(10)33(15)18(9)20(35)31-11-5-12(25)17(27)13(26)6-11/h5-6,10,14H,3-4,7-8H2,1-2H3,(H,30,37)(H,31,35)(H,32,36)/t10-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400061 ((1aR,6aR)-N-(3-chloro-4-fluorophenyl)-5-(2-((3,3-d...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2C[C@H]3C[C@H]3n2c1C(=O)Nc1ccc(F)c(Cl)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400062 ((1aR,6aR)-5-(2-((3,3-difluoro-1-(1H-1,2,3-triazol-...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2C[C@H]3C[C@H]3n2c1C(=O)Nc1cc(F)c(F)c(F)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400063 ((1aR,6aR)-N-(3-cyano-4-fluorophenyl)-5-(2-((3,3-di...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2C[C@H]3C[C@H]3n2c1C(=O)Nc1ccc(F)c(c1)C#N |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.5	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400064 ((1aR,6aR)-5-(2-((3,3-difluoro-1-(1H-1,2,3-triazol-...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2C[C@H]3C[C@H]3n2c1C(=O)Nc1ccc(F)c(F)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400065 (7-(2-((1-(1H-1,2,3-triazol-4-yl)cyclopropyl)amino)...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C22H20F2N6O3/c1-11-17(19(31)21(33)27-22(6-7-22)16-10-25-29-28-16)15-3-2-8-30(15)18(11)20(32)26-12-4-5-13(23)14(24)9-12/h4-5,9-10H,2-3,6-8H2,1H3,(H,26,32)(H,27,33)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	23.2	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400066 (7-(2-((3,3-difluoro-1-(methylcarbamoyl)cyclobutyl)...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)n2CCCc12 Show InChI InChI=1S/C23H22F4N4O4/c1-11-16(18(32)20(34)30-22(21(35)28-2)9-23(26,27)10-22)15-4-3-7-31(15)17(11)19(33)29-12-5-6-13(24)14(25)8-12/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400067 ((R)-7-(2-((1-(1H-1,2,3-triazol-4-yl)cyclopropyl)am...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2C[C@@H](F)Cn2c1C(=O)Nc1ccc(F)c(Cl)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400068 ((S)-7-(2-((1-(1H-1,2,3-triazol-4-yl)cyclopropyl)am...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2C[C@H](F)Cn2c1C(=O)Nc1ccc(F)c(Cl)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	264	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400069 (7-(2-((3,3-difluoro-1-(methylcarbamoyl)cyclobutyl)...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)n2CCCc12 Show InChI InChI=1S/C23H23F3N4O4/c1-12-16(18(31)20(33)29-22(21(34)27-2)10-23(25,26)11-22)15-4-3-9-30(15)17(12)19(32)28-14-7-5-13(24)6-8-14/h5-8H,3-4,9-11H2,1-2H3,(H,27,34)(H,28,32)(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	56.3	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400070 ((R)-7-(2-((3,3-difluoro-1-(1H-1,2,3-triazol-4-yl)c...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2C[C@@H](F)Cn2c1C(=O)Nc1ccc(F)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400071 ((R)-7-(2-((3,3-difluoro-1-(methylcarbamoyl)cyclobu...) Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)n2C[C@H](F)Cc12 |r| Show InChI InChI=1S/C23H21F5N4O4/c1-10-16(18(33)20(35)31-22(21(36)29-2)8-23(27,28)9-22)15-5-11(24)7-32(15)17(10)19(34)30-12-3-4-13(25)14(26)6-12/h3-4,6,11H,5,7-9H2,1-2H3,(H,29,36)(H,30,34)(H,31,35)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	69.1	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400072 (N-(3-chloro-4-fluorophenyl)-6-methyl-7-(2-((1-(2-m...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC2)c2nnn(C)n2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C22H21ClFN7O3/c1-11-16(18(32)20(34)26-22(7-8-22)21-27-29-30(2)28-21)15-4-3-9-31(15)17(11)19(33)25-12-5-6-14(24)13(23)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,25,33)(H,26,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	53.7	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400073 (N-(3-chloro-4-fluorophenyl)-6-methyl-7-(2-((1-(5-m...) Show SMILES Cc1nnc([nH]1)C1(CC1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2CCCc12 Show InChI InChI=1S/C23H22ClFN6O3/c1-11-17(19(32)21(34)28-23(7-8-23)22-26-12(2)29-30-22)16-4-3-9-31(16)18(11)20(33)27-13-5-6-15(25)14(24)10-13/h5-6,10H,3-4,7-9H2,1-2H3,(H,27,33)(H,28,34)(H,26,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	75.9	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400074 ((1aR,6aR)-5-(2-((1-(1H-1,2,3-triazol-4-yl)cyclopro...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC2)c2c[nH]nn2)c2C[C@H]3C[C@H]3n2c1C(=O)Nc1ccc(F)c(Cl)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.70	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair

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