Compile Data Set for Download or QSAR

Found 1235 hits with Last Name = 'akritopoulou-zanze' and Initial = 'i'   

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
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50388878 (CHEMBL1999931 | US9163007, 73) Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C23H18N6O/c30-23(17-9-5-2-6-10-17)24-22-19-13-18(11-12-20(19)25-27-22)21-15-29(28-26-21)14-16-7-3-1-4-8-16/h1-13,15H,14H2,(H2,24,25,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185854 (US9163007, 185) Show SMILES CN(C)c1ccc(cc1)-c1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1 Show InChI InChI=1S/C24H23N7/c1-30(2)19-11-8-17(9-12-19)23-22(18-10-13-21-20(14-18)24(25)28-26-21)27-29-31(23)15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H3,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185901 (US9163007, 408) Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C23H18FN5/c1-15-20-13-18(9-12-21(20)26-25-15)22-23(17-7-10-19(24)11-8-17)29(28-27-22)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.428	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185888 (US9163007, 395) Show SMILES Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C23H17FN6O/c24-18-8-4-7-17(11-18)23(31)25-22-19-12-16(9-10-20(19)26-28-22)21-14-30(29-27-21)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H2,25,26,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185899 (US9163007, 406) Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1cccs1 Show InChI InChI=1S/C20H16N6S/c21-20-15-11-14(8-9-16(15)22-24-20)18-19(17-7-4-10-27-17)26(25-23-18)12-13-5-2-1-3-6-13/h1-11H,12H2,(H3,21,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50388878 (CHEMBL1999931 | US9163007, 73) Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C23H18N6O/c30-23(17-9-5-2-6-10-17)24-22-19-13-18(11-12-20(19)25-27-22)21-15-29(28-26-21)14-16-7-3-1-4-8-16/h1-13,15H,14H2,(H2,24,25,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185839 (US9163007, 87) Show SMILES C(c1ccccc1)n1nnc(c1-c1ccccc1)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C22H17N5/c1-3-7-16(8-4-1)15-27-22(17-9-5-2-6-10-17)21(25-26-27)18-11-12-20-19(13-18)14-23-24-20/h1-14H,15H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.601	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368757 (CHEMBL4169829) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r| Show InChI InChI=1S/C38H49N7O14/c1-19(32(52)43-27(18-30(50)51)35(55)44-28(38(58)59)16-24-13-9-6-10-14-24)39-34(54)26(17-29(48)49)42-33(53)20(2)40-37(57)31(21(3)46)45-36(56)25(41-22(4)47)15-23-11-7-5-8-12-23/h5-14,19-21,25-28,31,46H,15-18H2,1-4H3,(H,39,54)(H,40,57)(H,41,47)(H,42,53)(H,43,52)(H,44,55)(H,45,56)(H,48,49)(H,50,51)(H,58,59)/t19-,20-,21-,25-,26-,27-,28-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368698 (CHEMBL4161906) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3cccc(c3)C(F)(F)F)c2c1 |r| Show InChI InChI=1S/C24H27F3N4O3S/c1-31-14-23(29-15-31)35(32,33)30-9-10-34-19-7-5-17-6-8-22(28)21(20(17)13-19)12-16-3-2-4-18(11-16)24(25,26)27/h2-5,7,11,13-15,21-22,30H,6,8-10,12,28H2,1H3/t21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185858 (US9163007, 198) Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H22N6O/c36-29(22-14-8-3-9-15-22)30-28-24-18-23(16-17-25(24)31-33-28)26-27(21-12-6-2-7-13-21)35(34-32-26)19-20-10-4-1-5-11-20/h1-18H,19H2,(H2,30,31,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185846 (US9163007, 151) Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H17FN6/c23-17-9-6-15(7-10-17)21-20(16-8-11-19-18(12-16)22(24)27-25-19)26-28-29(21)13-14-4-2-1-3-5-14/h1-12H,13H2,(H3,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368693 (CHEMBL4171521) Show SMILES O=S(=O)(CC1CC1)NC1CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r| Show InChI InChI=1S/C27H35N3O2S/c31-33(32,19-21-7-8-21)28-23-17-30(18-23)24-11-9-22-10-12-27(29-13-4-14-29)26(25(22)16-24)15-20-5-2-1-3-6-20/h1-3,5-6,9,11,16,21,23,26-28H,4,7-8,10,12-15,17-19H2/t26-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185858 (US9163007, 198) Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H22N6O/c36-29(22-14-8-3-9-15-22)30-28-24-18-23(16-17-25(24)31-33-28)26-27(21-12-6-2-7-13-21)35(34-32-26)19-20-10-4-1-5-11-20/h1-18H,19H2,(H2,30,31,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185863 (US9163007, 205) Show SMILES Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1 Show InChI InChI=1S/C26H21FN6O/c27-20-8-4-7-19(13-20)26(34)28-25-21-14-18(11-12-22(21)29-31-25)23-24(17-9-10-17)33(32-30-23)15-16-5-2-1-3-6-16/h1-8,11-14,17H,9-10,15H2,(H2,28,29,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50365388 (CHEMBL4165362) Show SMILES [H][C@]1(CCc2ccccc12)N[C@H]1CN(C[C@@H]1c1ccc(F)cc1)S(=O)(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C23H25FN4O2S/c1-27-14-23(25-15-27)31(29,30)28-12-20(17-6-9-18(24)10-7-17)22(13-28)26-21-11-8-16-4-2-3-5-19(16)21/h2-7,9-10,14-15,20-22,26H,8,11-13H2,1H3/t20-,21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...				J Med Chem 61: 7486-7502 (2018) Article DOI: 10.1021/acs.jmedchem.8b00295 BindingDB Entry DOI: 10.7270/Q2CC137K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185888 (US9163007, 395) Show SMILES Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C23H17FN6O/c24-18-8-4-7-17(11-18)23(31)25-22-19-12-16(9-10-20(19)26-28-22)21-14-30(29-27-21)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H2,25,26,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185850 (US9163007, 167) Show SMILES Fc1ccc(cc1)-c1c(nnn1CC1CCOCC1)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C21H20FN5O/c22-18-4-1-15(2-5-18)21-20(16-3-6-19-17(11-16)12-23-24-19)25-26-27(21)13-14-7-9-28-10-8-14/h1-6,11-12,14H,7-10,13H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.05	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185898 (US9163007, 405) Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1Cc1ccccc1 Show InChI InChI=1S/C23H20N6/c24-23-19-14-18(11-12-20(19)25-27-23)22-21(13-16-7-3-1-4-8-16)29(28-26-22)15-17-9-5-2-6-10-17/h1-12,14H,13,15H2,(H3,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368701 (CHEMBL4173657) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccc(Cl)cc3)c2c1 |r| Show InChI InChI=1S/C23H27ClN4O3S/c1-28-14-23(26-15-28)32(29,30)27-10-11-31-19-8-4-17-5-9-22(25)21(20(17)13-19)12-16-2-6-18(24)7-3-16/h2-4,6-8,13-15,21-22,27H,5,9-12,25H2,1H3/t21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368759 (CHEMBL4159998) Show SMILES CN[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C47H65N9O16/c1-23(2)18-31(55-46(70)38(27(6)57)56-45(69)32(51-28(7)58)19-29-14-10-8-11-15-29)43(67)54-34(21-36(59)60)42(66)49-25(4)40(64)52-35(22-37(61)62)44(68)53-33(20-30-16-12-9-13-17-30)41(65)48-24(3)39(63)50-26(5)47(71)72/h8-17,23-27,31-35,38,57H,18-22H2,1-7H3,(H,48,65)(H,49,66)(H,50,63)(H,51,58)(H,52,64)(H,53,68)(H,54,67)(H,55,70)(H,56,69)(H,59,60)(H,61,62)(H,71,72)/t24-,25-,26-,27-,31-,32-,33-,34-,35-,38-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368702 (CHEMBL4161781) Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccc(Cl)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C23H26Cl2N4O3S/c1-29-14-18(13-27-29)33(30,31)28-8-9-32-17-5-3-16-4-7-23(26)20(19(16)12-17)10-15-2-6-21(24)22(25)11-15/h2-3,5-6,11-14,20,23,28H,4,7-10,26H2,1H3/t20-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185841 (US9163007, 102) Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C22H18N6/c23-22-18-13-17(11-12-19(18)24-26-22)20-21(16-9-5-2-6-10-16)28(27-25-20)14-15-7-3-1-4-8-15/h1-13H,14H2,(H3,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368752 (CHEMBL4166406) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3cc(F)cc(Cl)c3)c2c1 |r| Show InChI InChI=1S/C40H53N7O14/c1-20(2)32(46-39(59)33(22(4)48)47-37(57)26(42-23(5)49)16-24-12-8-6-9-13-24)38(58)44-27(18-30(50)51)35(55)41-21(3)34(54)43-28(19-31(52)53)36(56)45-29(40(60)61)17-25-14-10-7-11-15-25/h6-15,20-22,26-29,32-33,48H,16-19H2,1-5H3,(H,41,55)(H,42,49)(H,43,54)(H,44,58)(H,45,56)(H,46,59)(H,47,57)(H,50,51)(H,52,53)(H,60,61)/t21-,22-,26-,27-,28-,29-,32-,33-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368692 (CHEMBL4165340) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCCC1 |r| Show InChI InChI=1S/C27H34N4O3S/c1-30-19-27(28-20-30)35(32,33)29-13-16-34-23-11-9-22-10-12-26(31-14-5-6-15-31)25(24(22)18-23)17-21-7-3-2-4-8-21/h2-4,7-9,11,18-20,25-26,29H,5-6,10,12-17H2,1H3/t25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368767 (CHEMBL4163697) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3cccc(Cl)c3)c2c1 |r| Show InChI InChI=1S/C38H57N7O14/c1-18(2)13-24(43-37(57)31(21(6)46)45-36(56)25(40-22(7)47)15-23-11-9-8-10-12-23)34(54)42-26(16-29(48)49)33(53)39-20(5)32(52)41-27(17-30(50)51)35(55)44-28(38(58)59)14-19(3)4/h8-12,18-21,24-28,31,46H,13-17H2,1-7H3,(H,39,53)(H,40,47)(H,41,52)(H,42,54)(H,43,57)(H,44,55)(H,45,56)(H,48,49)(H,50,51)(H,58,59)/t20-,21-,24-,25-,26-,27-,28-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185855 (US9163007, 189) Show SMILES Cn1cc(cn1)-c1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1 Show InChI InChI=1S/C20H18N8/c1-27-12-15(10-22-27)19-18(14-7-8-17-16(9-14)20(21)25-23-17)24-26-28(19)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,21,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM309129 ((3R,4S)-4-(4-fluorophenyl)-N-[4-fluoro-3-(trifluor...) Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2ccc(F)c(OC(F)(F)F)c2)[C@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C21H19F5N4O3S/c1-29-11-20(27-12-29)34(31,32)30-9-16(13-2-4-14(22)5-3-13)18(10-30)28-15-6-7-17(23)19(8-15)33-21(24,25)26/h2-8,11-12,16,18,28H,9-10H2,1H3/t16-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...				J Med Chem 61: 7486-7502 (2018) Article DOI: 10.1021/acs.jmedchem.8b00295 BindingDB Entry DOI: 10.7270/Q2CC137K
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM308813 ((3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazo...) Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(c2)C(F)(F)F)[C@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C21H20F4N4O2S/c1-28-12-20(26-13-28)32(30,31)29-10-18(14-5-7-16(22)8-6-14)19(11-29)27-17-4-2-3-15(9-17)21(23,24)25/h2-9,12-13,18-19,27H,10-11H2,1H3/t18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...				J Med Chem 61: 7486-7502 (2018) Article DOI: 10.1021/acs.jmedchem.8b00295 BindingDB Entry DOI: 10.7270/Q2CC137K
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50366117 (CHEMBL4176089) Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(OC(F)(F)F)c2)[C@H](C1)C1OCCCO1 |r| Show InChI InChI=1S/C19H23F3N4O5S/c1-25-11-17(23-12-25)32(27,28)26-9-15(18-29-6-3-7-30-18)16(10-26)24-13-4-2-5-14(8-13)31-19(20,21)22/h2,4-5,8,11-12,15-16,18,24H,3,6-7,9-10H2,1H3/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...				J Med Chem 61: 7486-7502 (2018) Article DOI: 10.1021/acs.jmedchem.8b00295 BindingDB Entry DOI: 10.7270/Q2CC137K
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50365371 (CHEMBL4168242) Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(OC(F)(F)F)c2)[C@H](C1)C1OCCCCO1 |r| Show InChI InChI=1S/C20H25F3N4O5S/c1-26-12-18(24-13-26)33(28,29)27-10-16(19-30-7-2-3-8-31-19)17(11-27)25-14-5-4-6-15(9-14)32-20(21,22)23/h4-6,9,12-13,16-17,19,25H,2-3,7-8,10-11H2,1H3/t16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...				J Med Chem 61: 7486-7502 (2018) Article DOI: 10.1021/acs.jmedchem.8b00295 BindingDB Entry DOI: 10.7270/Q2CC137K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185841 (US9163007, 102) Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C22H18N6/c23-22-18-13-17(11-12-19(18)24-26-22)20-21(16-9-5-2-6-10-16)28(27-25-20)14-15-7-3-1-4-8-15/h1-13H,14H2,(H3,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185846 (US9163007, 151) Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H17FN6/c23-17-9-6-15(7-10-17)21-20(16-8-11-19-18(12-16)22(24)27-25-19)26-28-29(21)13-14-4-2-1-3-5-14/h1-12H,13H2,(H3,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185848 (US9163007, 162) Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1C |(1.65,-4.01,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;7.59,-2.84,;7.75,-4.37,;9.26,-4.69,;10.03,-3.36,;11.56,-3.2,;12.47,-4.45,;14,-4.28,;14.9,-5.53,;14.28,-6.94,;12.74,-7.1,;11.84,-5.85,;9,-2.22,;9.32,-.71,;8.17,.32,;8.49,1.83,;9.96,2.3,;11.1,1.27,;10.78,-.23,;11.93,-1.26,)| Show InChI InChI=1S/C24H21N5/c1-16-8-6-7-11-20(16)24-23(19-12-13-22-21(14-19)17(2)25-26-22)27-28-29(24)15-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.25	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185863 (US9163007, 205) Show SMILES Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1 Show InChI InChI=1S/C26H21FN6O/c27-20-8-4-7-19(13-20)26(34)28-25-21-14-18(11-12-22(21)29-31-25)23-24(17-9-10-17)33(32-30-23)15-16-5-2-1-3-6-16/h1-8,11-14,17H,9-10,15H2,(H2,28,29,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.40	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368771 (CHEMBL4166296) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccc(Cl)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C42H58N8O15/c1-21(2)15-27(48-41(63)34(23(4)52)50-40(62)28(46-36(58)26(43)20-51)16-24-11-7-5-8-12-24)38(60)47-29(18-32(53)54)37(59)44-22(3)35(57)45-30(19-33(55)56)39(61)49-31(42(64)65)17-25-13-9-6-10-14-25/h5-14,21-23,26-31,34,51-52H,15-20,43H2,1-4H3,(H,44,59)(H,45,57)(H,46,58)(H,47,60)(H,48,63)(H,49,61)(H,50,62)(H,53,54)(H,55,56)(H,64,65)/t22-,23-,26-,27-,28-,29-,30-,31-,34-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368758 (CHEMBL4173253) Show SMILES O=S(=O)(CC1CC1)NCCOc1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r| Show InChI InChI=1S/C32H46N6O13/c1-15(2)11-20(37-31(49)26(17(4)39)34-18(5)40)29(47)36-21(13-24(41)42)28(46)33-16(3)27(45)35-22(14-25(43)44)30(48)38-23(32(50)51)12-19-9-7-6-8-10-19/h6-10,15-17,20-23,26,39H,11-14H2,1-5H3,(H,33,46)(H,34,40)(H,35,45)(H,36,47)(H,37,49)(H,38,48)(H,41,42)(H,43,44)(H,50,51)/t16-,17-,20-,21-,22-,23-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM294231 (US9586942, 5*) Show SMILES CCCS(=O)(=O)NC1CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 Show InChI InChI=1S/C26H35N3O2S/c1-2-15-32(30,31)27-22-18-29(19-22)23-11-9-21-10-12-26(28-13-6-14-28)25(24(21)17-23)16-20-7-4-3-5-8-20/h3-5,7-9,11,17,22,25-27H,2,6,10,12-16,18-19H2,1H3/t25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM309315 ((3R,4S)-4-(4-fluorophenyl)-N-[4-fluoro-3-(trifluor...) Show SMILES Cn1cc(nn1)S(=O)(=O)N1C[C@H](Nc2ccc(F)c(c2)C(F)(F)F)[C@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C20H18F5N5O2S/c1-29-11-19(27-28-29)33(31,32)30-9-15(12-2-4-13(21)5-3-12)18(10-30)26-14-6-7-17(22)16(8-14)20(23,24)25/h2-8,11,15,18,26H,9-10H2,1H3/t15-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...				J Med Chem 61: 7486-7502 (2018) Article DOI: 10.1021/acs.jmedchem.8b00295 BindingDB Entry DOI: 10.7270/Q2CC137K
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50366116 (CHEMBL4174148) Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC(Nc2cccc(Cl)c2)C(C1)c1ccc(F)cc1 Show InChI InChI=1S/C20H20ClFN4O2S/c1-25-12-20(23-13-25)29(27,28)26-10-18(14-5-7-16(22)8-6-14)19(11-26)24-17-4-2-3-15(21)9-17/h2-9,12-13,18-19,24H,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...				J Med Chem 61: 7486-7502 (2018) Article DOI: 10.1021/acs.jmedchem.8b00295 BindingDB Entry DOI: 10.7270/Q2CC137K
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50365378 (CHEMBL4160468) Show SMILES [H][C@@]1(CN(C[C@@H]1Nc1cccc(OC(F)(F)F)c1)S(=O)(=O)c1cn(C)cn1)[C@@]1([H])CCCCO1 |r| Show InChI InChI=1S/C20H25F3N4O4S/c1-26-12-19(24-13-26)32(28,29)27-10-16(18-7-2-3-8-30-18)17(11-27)25-14-5-4-6-15(9-14)31-20(21,22)23/h4-6,9,12-13,16-18,25H,2-3,7-8,10-11H2,1H3/t16-,17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...				J Med Chem 61: 7486-7502 (2018) Article DOI: 10.1021/acs.jmedchem.8b00295 BindingDB Entry DOI: 10.7270/Q2CC137K
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM141044 (US8653100, 4) Show SMILES CCCS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H31ClN2O3S/c1-2-16-31(28,29)27-14-15-30-21-9-4-18-10-13-26-23(22(18)17-21)24(11-3-12-24)19-5-7-20(25)8-6-19/h4-9,17,23,26-27H,2-3,10-16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50365372 (CHEMBL4176431) Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC(Nc2cccc(c2)C(F)(F)F)C(C1)c1ccc(F)cc1 Show InChI InChI=1S/C21H20F4N4O2S/c1-28-12-20(26-13-28)32(30,31)29-10-18(14-5-7-16(22)8-6-14)19(11-29)27-17-4-2-3-15(9-17)21(23,24)25/h2-9,12-13,18-19,27H,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...				J Med Chem 61: 7486-7502 (2018) Article DOI: 10.1021/acs.jmedchem.8b00295 BindingDB Entry DOI: 10.7270/Q2CC137K
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368699 (CHEMBL4167917) Show SMILES Cn1cnc(c1)S(=O)(=O)NCc1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r| Show InChI InChI=1S/C25H30N4O2S/c1-28-17-25(26-18-28)32(30,31)27-16-20-8-9-21-10-11-24(29-12-5-13-29)23(22(21)15-20)14-19-6-3-2-4-7-19/h2-4,6-9,15,17-18,23-24,27H,5,10-14,16H2,1H3/t23-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368760 (CHEMBL4164744) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2OC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r| Show InChI InChI=1S/C38H50N6O13/c1-20(2)15-25(42-37(55)32(21(3)45)44-36(54)26(39-22(4)46)16-23-11-7-5-8-12-23)33(51)40-27(18-30(47)48)34(52)41-28(19-31(49)50)35(53)43-29(38(56)57)17-24-13-9-6-10-14-24/h5-14,20-21,25-29,32,45H,15-19H2,1-4H3,(H,39,46)(H,40,51)(H,41,52)(H,42,55)(H,43,53)(H,44,54)(H,47,48)(H,49,50)(H,56,57)/t21-,25-,26-,27-,28-,29-,32-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185849 (US9163007, 163) Show SMILES Cc1ccccc1-c1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1 |(11.93,-1.26,;10.78,-.23,;11.1,1.27,;9.96,2.3,;8.49,1.83,;8.17,.32,;9.32,-.71,;9,-2.22,;7.59,-2.84,;7.75,-4.37,;9.26,-4.69,;10.03,-3.36,;11.56,-3.2,;12.47,-4.45,;14,-4.28,;14.9,-5.53,;14.28,-6.94,;12.74,-7.1,;11.84,-5.85,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;3.59,-2.07,;4.92,-2.84,)| Show InChI InChI=1S/C23H20N6/c1-15-7-5-6-10-18(15)22-21(17-11-12-20-19(13-17)23(24)27-25-20)26-28-29(22)14-16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H3,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368697 (CHEMBL4162953) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccccc3)c2c1 |r| Show InChI InChI=1S/C23H28N4O3S/c1-27-15-23(25-16-27)31(28,29)26-11-12-30-19-9-7-18-8-10-22(24)21(20(18)14-19)13-17-5-3-2-4-6-17/h2-7,9,14-16,21-22,26H,8,10-13,24H2,1H3/t21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry				J Med Chem 61: 7503-7524 (2018) Article DOI: 10.1021/acs.jmedchem.8b00300 BindingDB Entry DOI: 10.7270/Q2W66P9B
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM308815 ((3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazo...) Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(OC(F)(F)F)c2)[C@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C21H20F4N4O3S/c1-28-12-20(26-13-28)33(30,31)29-10-18(14-5-7-15(22)8-6-14)19(11-29)27-16-3-2-4-17(9-16)32-21(23,24)25/h2-9,12-13,18-19,27H,10-11H2,1H3/t18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...				J Med Chem 61: 7486-7502 (2018) Article DOI: 10.1021/acs.jmedchem.8b00295 BindingDB Entry DOI: 10.7270/Q2CC137K
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185894 (US9163007, 401) Show SMILES C(c1ccccc1)n1cc(nn1)-c1ccc2[nH]nc(-c3cccs3)c2c1 Show InChI InChI=1S/C20H15N5S/c1-2-5-14(6-3-1)12-25-13-18(22-24-25)15-8-9-17-16(11-15)20(23-21-17)19-7-4-10-26-19/h1-11,13H,12H2,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.92	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50365385 (CHEMBL4166232) Show SMILES Cn1cnc(c1)S(=O)(=O)N1CC(Nc2ccc(F)c(c2)C(F)(F)F)C(C1)c1ccc(F)cc1 Show InChI InChI=1S/C21H19F5N4O2S/c1-29-11-20(27-12-29)33(31,32)30-9-16(13-2-4-14(22)5-3-13)19(10-30)28-15-6-7-18(23)17(8-15)21(24,25)26/h2-8,11-12,16,19,28H,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...				J Med Chem 61: 7486-7502 (2018) Article DOI: 10.1021/acs.jmedchem.8b00295 BindingDB Entry DOI: 10.7270/Q2CC137K
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM308876 (N-{(3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imid...) Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cc(ncn2)C(F)(F)F)[C@H](C1)c1ccc(F)cc1 Show InChI InChI=1S/C19H18F4N6O2S/c1-28-9-18(26-11-28)32(30,31)29-7-14(12-2-4-13(20)5-3-12)15(8-29)27-17-6-16(19(21,22)23)24-10-25-17/h2-6,9-11,14-15H,7-8H2,1H3,(H,24,25,27)/t14-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation s...				J Med Chem 61: 7486-7502 (2018) Article DOI: 10.1021/acs.jmedchem.8b00295 BindingDB Entry DOI: 10.7270/Q2CC137K
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1235 total )  |  Next  |  Last  >>

Jump to: