Compile Data Set for Download or QSAR

Found 135 hits of ic50 for UniProtKB: O15244   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM335495 ((2R,5S,13aR)—N-(2-chloro-4-fluorobenzyl)-8-hy...) Show SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2ccc(F)cc2Cl)c1=O |r| Show InChI InChI=1S/C21H19ClFN3O5/c22-15-5-11(23)2-1-10(15)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	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF310S
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM335495 ((2R,5S,13aR)—N-(2-chloro-4-fluorobenzyl)-8-hy...) Show SMILES Oc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2ccc(F)cc2Cl)c1=O |r| Show InChI InChI=1S/C21H19ClFN3O5/c22-15-5-11(23)2-1-10(15)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	42	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and...				US Patent US9732092 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C2R
					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))	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF310S
					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 Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and...				US Patent US9732092 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C2R
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50420232 (CHEMBL2074900) Show SMILES CN(CCCl)C1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C16H16ClN/c1-18(11-10-17)16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT2-expressing HEK293 cells				Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM589177 (US11548901, Compound 45) Show SMILES Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)O[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r,TLB:3:5:10:8.7| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF310S
					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))	BDBM335491 ((13aS)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluorobenzy...) Show SMILES COc1c2C(=O)N3[C@@H]4CC[C@@H](C4)O[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r,TLB:4:6:8.9:11| Show InChI InChI=1S/C22H20F3N3O5/c1-32-20-18-22(31)28-11-2-3-12(6-11)33-17(28)9-27(18)8-14(19(20)29)21(30)26-7-13-15(24)4-10(23)5-16(13)25/h4-5,8,11-12,17H,2-3,6-7,9H2,1H3,(H,26,30)/t11-,12+,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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 Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and...				US Patent US9732092 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C2R
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM335488 (US11548901, Compound 40 | US9732092, Compound 40) Show SMILES CC1C[C@H]2C[C@@H]1O[C@@H]1Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 |r,TLB:0:1:7.31.6:4,THB:29:31:1.2:4| 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+/m0/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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF310S
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM335488 (US11548901, Compound 40 | US9732092, Compound 40) Show SMILES CC1C[C@H]2C[C@@H]1O[C@@H]1Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 |r,TLB:0:1:7.31.6:4,THB:29:31:1.2:4| 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+/m0/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 Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and...				US Patent US9732092 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C2R
					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 Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and...				US Patent US9732092 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C2R
					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))	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF310S
					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))	BDBM335482 (US9732092, Compound 3) Show SMILES Oc1c2C(=O)N3[C@@H]4CC[C@@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |r| 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 Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and...				US Patent US9732092 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C2R
					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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF310S
					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))	BDBM335487 (US11548901, Compound 39 | US9732092, Compound 39) Show SMILES CC1C[C@@H]2C[C@H]1O[C@H]1Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 |r,TLB:29:31:2.1:4,0:1:7.31.6:4| 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 Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and...				US Patent US9732092 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C2R
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM335487 (US11548901, Compound 39 | US9732092, Compound 39) Show SMILES CC1C[C@@H]2C[C@H]1O[C@H]1Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 |r,TLB:29:31:2.1:4,0:1:7.31.6:4| 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF310S
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50170723 (1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide...) Show SMILES NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5| Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
					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))	BDBM589189 (US11548901, Compound 100) Show SMILES Oc1c2C(=O)N3C4CCC(CC4)C3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |(7.73,-2.31,;7.73,-.77,;6.39,,;5.06,-.77,;5.06,-2.31,;3.73,,;2.39,-.77,;1.06,,;1.06,1.54,;2.39,2.31,;2.14,1.28,;2.14,.26,;3.73,1.54,;5.06,2.31,;6.39,1.54,;7.73,2.31,;9.06,1.54,;10.4,2.31,;11.73,1.54,;10.4,3.85,;11.73,4.62,;11.73,6.16,;10.4,6.93,;10.4,8.47,;11.73,9.24,;11.73,10.78,;13.06,8.47,;13.06,6.93,;14.4,6.16,;9.06,,;10.4,-.77,)| Show InChI	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF310S
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM335503 ((1R,4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-6,8-...) Show SMILES Oc1c2C(=O)N3[C@@H]4CC[C@@H](CC4)[C@H]3Cn2cc(C(=O)NCc2ccc(F)cc2F)c1=O |r,wU:12.13,9.8,wD:6.5,(-.3,26.21,;-.3,27.75,;-1.63,28.52,;-2.97,27.75,;-2.97,26.21,;-4.3,28.52,;-5.83,28.68,;-7.24,28.05,;-7.27,29.9,;-5.81,30.38,;-6.28,31.84,;-7.75,31.37,;-4.3,30.06,;-2.97,30.82,;-1.63,30.06,;-.3,30.83,;1.03,30.06,;2.37,30.83,;2.37,32.37,;3.7,30.06,;5.03,30.83,;6.12,29.74,;5.72,28.25,;6.81,27.16,;8.3,27.56,;9.39,26.47,;8.7,29.05,;7.61,30.14,;8.01,31.62,;1.03,28.52,;2.37,27.75,)| Show InChI InChI=1S/C22H21F2N3O4/c23-13-4-1-12(16(24)7-13)8-25-21(30)15-9-26-10-17-11-2-5-14(6-3-11)27(17)22(31)18(26)20(29)19(15)28/h1,4,7,9,11,14,17,29H,2-3,5-6,8,10H2,(H,25,30)/t11-,14+,17-/m1/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 Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and...				US Patent US9732092 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C2R
					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))	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 Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and...				US Patent US9732092 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C2R
					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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF310S
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM335490 ((2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluor...) Show SMILES COc1c2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r| Show InChI InChI=1S/C22H20F3N3O5/c1-32-20-18-22(31)28-11-2-3-12(6-11)33-17(28)9-27(18)8-14(19(20)29)21(30)26-7-13-15(24)4-10(23)5-16(13)25/h4-5,8,11-12,17H,2-3,6-7,9H2,1H3,(H,26,30)/t11-,12+,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid 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 Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and...				US Patent US9732092 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C2R
					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))	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF310S
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of human OCT2 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay				J Med Chem 54: 4548-58 (2011) Article DOI: 10.1021/jm2001629 BindingDB Entry DOI: 10.7270/Q26W9C5N
					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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF310S
					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 Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and...				US Patent US9732092 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C2R
					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))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of human OCT2 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay				J Med Chem 54: 4548-58 (2011) Article DOI: 10.1021/jm2001629 BindingDB Entry DOI: 10.7270/Q26W9C5N
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Inhibition of human OCT2 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay				J Med Chem 54: 4548-58 (2011) Article DOI: 10.1021/jm2001629 BindingDB Entry DOI: 10.7270/Q26W9C5N
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50104435 (4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...) Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) Show SMILES CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19| Show InChI InChI=1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT2-expressing HEK293 cells				Br J Pharmacol 136: 829-36 (2002) Article DOI: 10.1038/sj.bjp.0704785 BindingDB Entry DOI: 10.7270/Q29Z9656
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM45440 (4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...) Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
					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))	BDBM589186 (US11548901, Compound 96) Show SMILES Oc1c2C(=O)N3C4CC(C4)C3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |(7.23,3.85,;7.23,2.31,;5.89,1.54,;4.56,2.31,;4.56,3.85,;3.23,1.54,;1.76,2.02,;.86,.77,;1.76,-.48,;2.07,.77,;3.23,,;4.56,-.77,;5.89,,;7.23,-.77,;8.56,,;9.89,-.77,;11.23,,;9.89,-2.31,;11.23,-3.08,;11.23,-4.62,;9.89,-5.39,;8.56,-4.62,;9.89,-6.93,;11.23,-7.7,;11.23,-9.24,;12.56,-6.93,;12.56,-5.39,;13.9,-4.62,;8.56,1.54,;9.89,2.31,)| Show InChI	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF310S
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM335500 ((1R,3R,11aS)-6-hydroxy-5,7-dioxo-N-(2,4,6-trifluor...) Show SMILES Oc1c2C(=O)N3C4CC(C4)[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r,wU:10.11,TLB:3:5:7:9,THB:11:10:7:9,(-8.13,-20.84,;-8.13,-19.3,;-9.46,-18.53,;-10.8,-19.3,;-10.8,-20.84,;-12.13,-18.53,;-13.62,-18.54,;-14.71,-19.62,;-13.67,-16.99,;-14.76,-15.91,;-12.13,-16.99,;-10.8,-16.22,;-9.46,-16.99,;-8.13,-16.22,;-6.79,-16.99,;-5.46,-16.22,;-5.46,-14.68,;-4.13,-16.99,;-2.79,-16.22,;-1.46,-16.99,;-1.46,-18.53,;-2.79,-19.3,;-.13,-19.3,;1.21,-18.53,;2.54,-19.3,;1.21,-16.99,;-.13,-16.22,;-.13,-14.68,;-6.79,-18.53,;-5.46,-19.3,)| Show InChI InChI=1S/C20H16F3N3O4/c21-9-3-13(22)11(14(23)4-9)5-24-19(29)12-6-25-7-15-8-1-10(2-8)26(15)20(30)16(25)18(28)17(12)27/h3-4,6,8,10,15,28H,1-2,5,7H2,(H,24,29)/t8?,10?,15-/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 Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and...				US Patent US9732092 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C2R
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) Show SMILES COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC Show InChI InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
					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))	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 Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and...				US Patent US9732092 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C2R
					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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF310S
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572) Show SMILES [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r| Show InChI InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human OCT2 expressed in MDCK2 cells using [14C]metformin as substrate by liquid scintillation counting analysis				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
					More data for this Ligand-Target Pair

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