Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 1533   

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
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330053 ((2R,5S,13aR)-N-(2-chloro-4-fluorobenzyl)-8-hydroxy...) Show SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)[C@H]3Cn2cc(C(=O)NCc2ccc(Cl)cc2F)c1=O |THB:12:11:7.8:10,3:5:7.8:10| Show InChI InChI=1S/C21H19ClFN3O4/c22-12-3-1-11(15(23)6-12)7-24-20(29)14-8-25-9-16-10-2-4-13(5-10)26(16)21(30)17(25)19(28)18(14)27/h1,3,6,8,10,13,16,28H,2,4-5,7,9H2,(H,24,29)/t10-,13+,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330054 ((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,5-trifluor...) Show SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2cc(F)c(F)cc2F)c1=O |THB:13:12:8.7:10,3:5:8.7:10| Show InChI InChI=1S/C21H18F3N3O5/c22-13-5-15(24)14(23)3-9(13)6-25-20(30)12-7-26-8-16-27(10-1-2-11(4-10)32-16)21(31)17(26)19(29)18(12)28/h3,5,7,10-11,16,29H,1-2,4,6,8H2,(H,25,30)/t10-,11+,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330049 ((13aS)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluorobenzy...) Show SMILES Oc1c2C(=O)N3C4CCC(C4)O[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |THB:13:12:8.7:10,3:5:8.7:10| Show InChI InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10?,11?,16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330045 ((2R,3S,5R,3aS)-N-(2,4-difluorobenzyl)-8-hydroxy-3-...) Show SMILES CC1C[C@@H]2C[C@H]1OC1Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 |THB:8:7:1.2:4,29:31:1.2:4,0:1:7.6.31:4| Show InChI InChI=1S/C22H21F2N3O5/c1-10-4-13-6-16(10)32-17-9-26-8-14(19(28)20(29)18(26)22(31)27(13)17)21(30)25-7-11-2-3-12(23)5-15(11)24/h2-3,5,8,10,13,16-17,29H,4,6-7,9H2,1H3,(H,25,30)/t10?,13-,16-,17?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330039 ((2R,5S,13aR)-N-(2,4-difluorobenzyl)-8-hydroxy-7,9-...) Show SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |THB:3:5:8.7:10,13:12:8.7:10| Show InChI InChI=1S/C21H19F2N3O5/c22-11-2-1-10(15(23)5-11)7-24-20(29)14-8-25-9-16-26(12-3-4-13(6-12)31-16)21(30)17(25)19(28)18(14)27/h1-2,5,8,12-13,16,28H,3-4,6-7,9H2,(H,24,29)/t12-,13+,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330040 ((2S,5R,13aS)-N-(2,4-difluorobenzyl)-8-hydroxy-7,9-...) Show SMILES Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)O[C@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |THB:3:5:8.7:10,13:12:8.7:10| Show InChI InChI=1S/C21H19F2N3O5/c22-11-2-1-10(15(23)5-11)7-24-20(29)14-8-25-9-16-26(12-3-4-13(6-12)31-16)21(30)17(25)19(28)18(14)27/h1-2,5,8,12-13,16,28H,3-4,6-7,9H2,(H,24,29)/t12-,13+,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330045 ((2R,3S,5R,3aS)-N-(2,4-difluorobenzyl)-8-hydroxy-3-...) Show SMILES CC1C[C@@H]2C[C@H]1OC1Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 |THB:8:7:1.2:4,29:31:1.2:4,0:1:7.6.31:4| Show InChI InChI=1S/C22H21F2N3O5/c1-10-4-13-6-16(10)32-17-9-26-8-14(19(28)20(29)18(26)22(31)27(13)17)21(30)25-7-11-2-3-12(23)5-15(11)24/h2-3,5,8,10,13,16-17,29H,4,6-7,9H2,1H3,(H,25,30)/t10?,13-,16-,17?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	358	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330061 ((1R,4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-6,8-...) Show SMILES C[C@H]1C[C@@H]2C[C@H]1N1[C@H]2Cn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |TLB:0:1:7.6:4,THB:8:7:1.2:4,29:6:1.2:4| Show InChI InChI=1S/C22H21F2N3O4/c1-10-4-12-5-16(10)27-17(12)9-26-8-14(19(28)20(29)18(26)22(27)31)21(30)25-7-11-2-3-13(23)6-15(11)24/h2-3,6,8,10,12,16-17,29H,4-5,7,9H2,1H3,(H,25,30)/t10-,12+,16+,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330052 ((1R,4S,12aS)-7-hydroxy-6,8-dioxo-N-(2,4,6-trifluor...) Show SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |THB:12:11:7.8:10,3:5:7.8:10| Show InChI InChI=1S/C21H18F3N3O4/c22-10-4-14(23)12(15(24)5-10)6-25-20(30)13-7-26-8-16-9-1-2-11(3-9)27(16)21(31)17(26)19(29)18(13)28/h4-5,7,9,11,16,29H,1-3,6,8H2,(H,25,30)/t9-,11+,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	476	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330048 ((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluor...) Show SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |THB:13:12:8.7:10,3:5:8.7:10| Show InChI InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	487	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330043 ((2S,5R,13aS)-N—((S)-1-(2,4-difluorophenyl)eth...) Show SMILES C[C@H](NC(=O)c1cn2C[C@@H]3O[C@H]4CC[C@H](C4)N3C(=O)c2c(O)c1=O)c1ccc(F)cc1F |THB:8:9:12.13:15,17:16:12.13:15| Show InChI InChI=1S/C22H21F2N3O5/c1-10(14-5-2-11(23)6-16(14)24)25-21(30)15-8-26-9-17-27(12-3-4-13(7-12)32-17)22(31)18(26)20(29)19(15)28/h2,5-6,8,10,12-13,17,29H,3-4,7,9H2,1H3,(H,25,30)/t10-,12+,13-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330058 ((1R,3R,11aS)-6-hydroxy-5,7-dioxo-N-(2,4,6-trifluor...) Show SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |TLB:3:5:7.8:10,THB:12:11:7.8:10| Show InChI InChI=1S/C21H18F3N3O4/c22-10-4-14(23)12(15(24)5-10)6-25-20(30)13-7-26-8-16-9-1-2-11(3-9)27(16)21(31)17(26)19(29)18(13)28/h4-5,7,9,11,16,29H,1-3,6,8H2,(H,25,30)/t9-,11+,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330060 ((1R,3S,4R,12aR)-7-hydroxy-3-methyl-6,8-dioxo-N-(2,...) Show SMILES C[C@H]1C[C@@H]2C[C@H]1N1[C@H]2Cn2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c2C1=O |TLB:0:1:7.6:4,THB:8:7:1.2:4,30:6:1.2:4| Show InChI InChI=1S/C22H20F3N3O4/c1-9-2-10-3-16(9)28-17(10)8-27-7-13(19(29)20(30)18(27)22(28)32)21(31)26-6-12-14(24)4-11(23)5-15(12)25/h4-5,7,9-10,16-17,30H,2-3,6,8H2,1H3,(H,26,31)/t9-,10+,16+,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330041 ( (4R,12aS)-N-(1-(2,4-difluorophenyl)cyclopropyl)-7...) Show SMILES C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NC4(CC4)c4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 Show InChI InChI=1S/C22H21F2N3O5/c1-11-4-7-32-16-10-26-9-13(18(28)19(29)17(26)21(31)27(11)16)20(30)25-22(5-6-22)14-3-2-12(23)8-15(14)24/h2-3,8-9,11,16,29H,4-7,10H2,1H3,(H,25,30)/t11-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330047 ((1R,4S,12aR)-7-hydroxy-6,8-dioxo-N-(2,4,6-trifluor...) Show SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |THB:12:11:7.8:10,3:5:7.8:10| Show InChI InChI=1S/C21H18F3N3O4/c22-10-4-14(23)12(15(24)5-10)6-25-20(30)13-7-26-8-16-9-1-2-11(3-9)27(16)21(31)17(26)19(29)18(13)28/h4-5,7,9,11,16,29H,1-3,6,8H2,(H,25,30)/t9-,11+,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330059 ((1S,4R,12aR)-3,3-difluoro-7-hydroxy-6,8-dioxo-N-(2...) Show SMILES Oc1c2C(=O)N3[C@@H](Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O)[C@H]1C[C@@H]3C(F)(F)C1 |TLB:7:6:29.32:27,THB:3:5:29.32:27| Show InChI InChI=1S/C21H16F5N3O4/c22-9-2-12(23)10(13(24)3-9)5-27-19(32)11-6-28-7-14-8-1-15(21(25,26)4-8)29(14)20(33)16(28)18(31)17(11)30/h2-3,6,8,14-15,31H,1,4-5,7H2,(H,27,32)/t8-,14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330055 ((1R,4S,12aR)-7-hydroxy-6,8-dioxo-N—((R)-1-(2,...) Show SMILES C[C@@H](NC(=O)c1cn2C[C@H]3[C@@H]4CC[C@@H](C4)N3C(=O)c2c(O)c1=O)c1c(F)cc(F)cc1F |THB:8:9:12.11:14,16:15:12.11:14| Show InChI InChI=1S/C22H20F3N3O4/c1-9(17-14(24)5-11(23)6-15(17)25)26-21(31)13-7-27-8-16-10-2-3-12(4-10)28(16)22(32)18(27)20(30)19(13)29/h5-7,9-10,12,16,30H,2-4,8H2,1H3,(H,26,31)/t9-,10-,12+,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330051 ((1S,4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-6,8-...) Show SMILES Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |THB:12:11:7.8:10,3:5:7.8:10| Show InChI InChI=1S/C21H19F2N3O4/c22-12-3-1-11(15(23)6-12)7-24-20(29)14-8-25-9-16-10-2-4-13(5-10)26(16)21(30)17(25)19(28)18(14)27/h1,3,6,8,10,13,16,28H,2,4-5,7,9H2,(H,24,29)/t10-,13+,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330050 ((1R,4S,12aR)-N-(2,4-difluorobenzyl)-7-hydroxy-6,8-...) Show SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)[C@@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |THB:12:11:7.8:10,3:5:7.8:10| Show InChI InChI=1S/C21H19F2N3O4/c22-12-3-1-11(15(23)6-12)7-24-20(29)14-8-25-9-16-10-2-4-13(5-10)26(16)21(30)17(25)19(28)18(14)27/h1,3,6,8,10,13,16,28H,2,4-5,7,9H2,(H,24,29)/t10-,13+,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330042 ((2S,5R,13aS)-N—((R)-1-(2,4-difluorophenyl)eth...) Show SMILES C[C@@H](NC(=O)c1cn2C[C@@H]3O[C@H]4CC[C@H](C4)N3C(=O)c2c(O)c1=O)c1ccc(F)cc1F |THB:8:9:12.13:15,17:16:12.13:15| Show InChI InChI=1S/C22H21F2N3O5/c1-10(14-5-2-11(23)6-16(14)24)25-21(30)15-8-26-9-17-27(12-3-4-13(7-12)32-17)22(31)18(26)20(29)19(15)28/h2,5-6,8,10,12-13,17,29H,3-4,7,9H2,1H3,(H,25,30)/t10-,12-,13+,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330057 ((1S,4R,12aS)-3,3-difluoro-7-hydroxy-6,8-dioxo-N-(2...) Show SMILES Oc1c2C(=O)N3[C@H](Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O)[C@H]1C[C@@H]3C(F)(F)C1 |TLB:7:6:29.32:27,THB:3:5:29.32:27| Show InChI InChI=1S/C21H16F5N3O4/c22-9-2-12(23)10(13(24)3-9)5-27-19(32)11-6-28-7-14-8-1-15(21(25,26)4-8)29(14)20(33)16(28)18(31)17(11)30/h2-3,6,8,14-15,31H,1,4-5,7H2,(H,27,32)/t8-,14+,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330044 ( (2S,5R)-N—((S)-1-(2,4-difluorophenyl)-2,2,2-...) Show SMILES Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)OC3Cn2cc(C(=O)N[C@@H](c2ccc(F)cc2F)C(F)(F)F)c1=O |THB:13:12:8.7:10,3:5:8.7:10| Show InChI InChI=1S/C22H18F5N3O5/c23-9-1-4-12(14(24)5-9)19(22(25,26)27)28-20(33)13-7-29-8-15-30(10-2-3-11(6-10)35-15)21(34)16(29)18(32)17(13)31/h1,4-5,7,10-11,15,19,32H,2-3,6,8H2,(H,28,33)/t10-,11+,15?,19+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM330056 ((1S,3R,4R,12aR)-3-fluoro-7-hydroxy-6,8-dioxo-N-(2,...) Show SMILES Oc1c2C(=O)N3[C@@H]4C[C@@H](C[C@H]4F)[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |TLB:13:12:10.9:7,THB:11:10:12.5:7,3:5:10.9:7| Show InChI InChI=1S/C21H17F4N3O4/c22-9-3-12(23)10(13(24)4-9)5-26-20(31)11-6-27-7-16-8-1-14(25)15(2-8)28(16)21(32)17(27)19(30)18(11)29/h3-4,6,8,14-16,30H,1-2,5,7H2,(H,26,31)/t8-,14-,15-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type an...				US Patent US9663528 (2017) BindingDB Entry DOI: 10.7270/Q24F1SVF
					More data for this Ligand-Target Pair