Compile Data Set for Download or QSAR

Found 34 hits of ic50 data for polymerid = 50006878   

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
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM448201 (US10689399, Compound 40) Show SMILES C[C@@H]1C[C@H]2C[C@@H]1O[C@@H]1Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 |THB:29:31:1.2:4,0:1:7.6.31:4,8:7:1.2:4| 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-/m1/s1	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM350693 (US9795602, Compound 29) Show SMILES CN1[C@H]2CCC[C@H]2n2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c2C1=O |r| Show InChI InChI=1S/C20H18F3N3O4/c1-25-14-3-2-4-15(14)26-8-11(17(27)18(28)16(26)20(25)30)19(29)24-7-10-12(22)5-9(21)6-13(10)23/h5-6,8,14-15,28H,2-4,7H2,1H3,(H,24,29)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	216	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 US9795602 (2017) BindingDB Entry DOI: 10.7270/Q2K35WTB
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM448200 (US10689399, Compound 39) Show SMILES C[C@H]1C[C@@H]2C[C@H]1O[C@H]1Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 |THB:29:31:1.2:4,0:1:7.6.31:4,8:7:1.2:4| 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM448216 (US10689399, Compound 100) Show SMILES Fc1ccc(F)c(CNC(=O)c2cn3CC4C5CCC(C5)N4C(=O)c3cc2=O)c1 |THB:14:15:18.17:20,22:21:18.17:20| Show InChI InChI=1S/C21H19F2N3O3/c22-13-2-4-16(23)12(5-13)8-24-20(28)15-9-25-10-18-11-1-3-14(6-11)26(18)21(29)17(25)7-19(15)27/h2,4-5,7,9,11,14,18H,1,3,6,8,10H2,(H,24,28)	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM448198 (US10689399, Compound 13) Show SMILES C[C@@H](NC(=O)c1cn2CC3O[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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM448213 (US10689399, Compound 96) Show SMILES Oc1c2C(=O)N3C4CCC(C4)C3Cn2cc(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)	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM350694 (US9795602, Compound 58) Show SMILES CN1[C@@H]2CCC[C@@H]2n2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c2C1=O |r| Show InChI InChI=1S/C20H18F3N3O4/c1-25-14-3-2-4-15(14)26-8-11(17(27)18(28)16(26)20(25)30)19(29)24-7-10-12(22)5-9(21)6-13(10)23/h5-6,8,14-15,28H,2-4,7H2,1H3,(H,24,29)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 US9795602 (2017) BindingDB Entry DOI: 10.7270/Q2K35WTB
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM350830 (US9795602, Compound 59) Show SMILES CN1[C@@H]2CCCC[C@@H]2n2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c2C1=O |r| Show InChI InChI=1S/C21H20F3N3O4/c1-26-15-4-2-3-5-16(15)27-9-12(18(28)19(29)17(27)21(26)31)20(30)25-8-11-13(23)6-10(22)7-14(11)24/h6-7,9,15-16,29H,2-5,8H2,1H3,(H,25,30)/t15-,16+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.51E+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 US9795602 (2017) BindingDB Entry DOI: 10.7270/Q2K35WTB
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM350834 (US9795602, Compound 12) Show SMILES CCN1[C@@H]2COCC[C@H]2n2cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c2C1=O |r| Show InChI InChI=1S/C21H20F3N3O5/c1-2-26-16-9-32-4-3-15(16)27-8-12(18(28)19(29)17(27)21(26)31)20(30)25-7-11-13(23)5-10(22)6-14(11)24/h5-6,8,15-16,29H,2-4,7,9H2,1H3,(H,25,30)/t15-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40E+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 US9795602 (2017) BindingDB Entry DOI: 10.7270/Q2K35WTB
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM350831 (US9795602, Compound 31) Show SMILES Oc1c2C(=O)N(CC(F)(F)F)[C@H]3COCC[C@H]3n2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r| Show InChI InChI=1S/C21H17F6N3O5/c22-9-3-12(23)10(13(24)4-9)5-28-19(33)11-6-29-14-1-2-35-7-15(14)30(8-21(25,26)27)20(34)16(29)18(32)17(11)31/h3-4,6,14-15,32H,1-2,5,7-8H2,(H,28,33)/t14-,15+/m1/s1	PDB UniProtKB/SwissProt 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 US9795602 (2017) BindingDB Entry DOI: 10.7270/Q2K35WTB
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM350832 (US9795602, Compound 32) Show SMILES Oc1c2C(=O)N(CC(F)(F)F)[C@@H]3COCC[C@@H]3n2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r| Show InChI InChI=1S/C21H17F6N3O5/c22-9-3-12(23)10(13(24)4-9)5-28-19(33)11-6-29-14-1-2-35-7-15(14)30(8-21(25,26)27)20(34)16(29)18(32)17(11)31/h3-4,6,14-15,32H,1-2,5,7-8H2,(H,28,33)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt 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 US9795602 (2017) BindingDB Entry DOI: 10.7270/Q2K35WTB
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM350833 (US9795602, Compound 39) Show SMILES CCN1[C@@H]2COCC[C@@H]2n2cc(C(=O)NCc3ccc(F)c(Cl)c3F)c(=O)c(O)c2C1=O |r| Show InChI InChI=1S/C21H20ClF2N3O5/c1-2-26-14-9-32-6-5-13(14)27-8-11(18(28)19(29)17(27)21(26)31)20(30)25-7-10-3-4-12(23)15(22)16(10)24/h3-4,8,13-14,29H,2,5-7,9H2,1H3,(H,25,30)/t13-,14+/m0/s1	PDB UniProtKB/SwissProt 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 US9795602 (2017) BindingDB Entry DOI: 10.7270/Q2K35WTB
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 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	PDB UniProtKB/SwissProt 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 US10689399 (2020) BindingDB Entry DOI: 10.7270/Q2S185HX
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM350836 (US9795602, Compound 28) Show SMILES Oc1c2C(=O)N[C@H]3CCC[C@H]3n2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r| Show InChI InChI=1S/C19H16F3N3O4/c20-8-4-11(21)9(12(22)5-8)6-23-18(28)10-7-25-14-3-1-2-13(14)24-19(29)15(25)17(27)16(10)26/h4-5,7,13-14,27H,1-3,6H2,(H,23,28)(H,24,29)/t13-,14+/m0/s1	PDB UniProtKB/SwissProt 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 US9795602 (2017) BindingDB Entry DOI: 10.7270/Q2K35WTB
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM350835 (US9795602, Compound 25b) Show SMILES [H][C@]12CCO[C@@]1([H])N(CC)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)c(Cl)c1F |r| Show InChI InChI=1S/C20H18ClF2N3O5/c1-2-25-19(30)15-17(28)16(27)10(8-26(15)12-5-6-31-20(12)25)18(29)24-7-9-3-4-11(22)13(21)14(9)23/h3-4,8,12,20,28H,2,5-7H2,1H3,(H,24,29)/t12-,20+/m0/s1	PDB UniProtKB/SwissProt 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 US9795602 (2017) BindingDB Entry DOI: 10.7270/Q2K35WTB
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM50576849 (CHEMBL4876008) Show SMILES Cl.CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of OCT2 (unknown origin) expressed in HEK293 cells				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112373 BindingDB Entry DOI: 10.7270/Q2XP78Q8
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Homo sapiens (Human))	BDBM50228403 ((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Boehringer Ingelheim Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of OCT2 (unknown origin) expressed in HEK293 cells assessed as reduction of [14C]metformin substrate uptake at 100 uM by liquid scintillat...				Drug Metab Dispos 41: 149-58 (2012) Article DOI: 10.1124/dmd.112.048470 BindingDB Entry DOI: 10.7270/Q2QC0574
					More data for this Ligand-Target Pair