Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50001781   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium- 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
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
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))	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))	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
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
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))	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))	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))	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))	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))	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
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))	BDBM50368783 (CHEMBL4165214) Show SMILES N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H28Cl2N2O3S/c24-21-7-3-16(12-22(21)25)11-20-19-13-18(6-4-17(19)5-8-23(20)26)30-10-9-27-31(28,29)14-15-1-2-15/h3-4,6-7,12-13,15,20,23,27H,1-2,5,8-11,14,26H2/t20-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.70	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))	BDBM50368695 (CHEMBL4172640) Show SMILES CCCS(=O)(=O)NCc1ccc2CC[C@H](NC)[C@H](Cc3ccccc3)c2c1 |r| Show InChI InChI=1S/C22H30N2O2S/c1-3-13-27(25,26)24-16-18-9-10-19-11-12-22(23-2)21(20(19)15-18)14-17-7-5-4-6-8-17/h4-10,15,21-24H,3,11-14,16H2,1-2H3/t21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.5	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
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50368766 (CHEMBL4164312) Show SMILES O=S(=O)(CC1CC1)NC1CN(C1)c1ccc2OC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r| Show InChI InChI=1S/C41H56N8O14/c1-20(2)15-27(47-40(61)34(22(4)50)49-39(60)28(44-23(5)51)16-25-11-13-26(42)14-12-25)37(58)46-29(18-32(52)53)36(57)43-21(3)35(56)45-30(19-33(54)55)38(59)48-31(41(62)63)17-24-9-7-6-8-10-24/h6-14,20-22,27-31,34,50H,15-19,42H2,1-5H3,(H,43,57)(H,44,51)(H,45,56)(H,46,58)(H,47,61)(H,48,59)(H,49,60)(H,52,53)(H,54,55)(H,62,63)/t21-,22-,27-,28-,29-,30-,31-,34-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18	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))	BDBM50368696 (CHEMBL4159833) Show SMILES CCCS(=O)(=O)N[C@@H]1CCN(C1=O)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r| Show InChI InChI=1S/C27H35N3O3S/c1-2-17-34(32,33)28-25-13-16-30(27(25)31)22-11-9-21-10-12-26(29-14-6-15-29)24(23(21)19-22)18-20-7-4-3-5-8-20/h3-5,7-9,11,19,24-26,28H,2,6,10,12-18H2,1H3/t24-,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	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))	BDBM50368694 (CHEMBL4169708) Show SMILES N[C@H]1CCc2ccc(OCCNS(=O)(=O)C3CCC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H28Cl2N2O3S/c24-21-8-4-15(13-22(21)25)12-20-19-14-17(7-5-16(19)6-9-23(20)26)30-11-10-27-31(28,29)18-2-1-3-18/h4-5,7-8,13-14,18,20,23,27H,1-3,6,9-12,26H2/t20-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	32	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))	BDBM50368711 (CHEMBL4176494) Show SMILES CCCS(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccc(Cl)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C22H28Cl2N2O3S/c1-2-11-30(27,28)26-9-10-29-17-6-4-16-5-8-22(25)19(18(16)14-17)12-15-3-7-20(23)21(24)13-15/h3-4,6-7,13-14,19,22,26H,2,5,8-12,25H2,1H3/t19-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	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))	BDBM50368704 (CHEMBL4167754) Show SMILES CCCS(=O)(=O)NC1CN(C1)c1ccc2OC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r| Show InChI InChI=1S/C25H33N3O3S/c1-2-13-32(29,30)26-20-16-28(17-20)21-9-10-25-23(15-21)22(14-19-7-4-3-5-8-19)24(18-31-25)27-11-6-12-27/h3-5,7-10,15,20,22,24,26H,2,6,11-14,16-18H2,1H3/t22-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	44	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))	BDBM50322423 ((S)-4-(3-Fluoro-5-trifluoromethylpyridin-2-yl)pipe...) Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	47	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))	BDBM50368761 (CHEMBL4176035) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@H](NCC(F)(F)F)[C@H](Cc3ccccc3)c2c1 |r| Show InChI InChI=1S/C41H54N10O14/c1-20(2)15-27(47-40(63)34(22(4)52)49-39(62)28(44-23(5)53)16-25-11-13-26(14-12-25)50-51-42)37(60)46-29(18-32(54)55)36(59)43-21(3)35(58)45-30(19-33(56)57)38(61)48-31(41(64)65)17-24-9-7-6-8-10-24/h6-14,20-22,27-31,34,52H,15-19H2,1-5H3,(H,43,59)(H,44,53)(H,45,58)(H,46,60)(H,47,63)(H,48,61)(H,49,62)(H,54,55)(H,56,57)(H,64,65)/t21-,22-,27-,28-,29-,30-,31-,34-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	69	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))	BDBM50368765 (CHEMBL4160909) Show SMILES CCCS(=O)(=O)NCc1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r| Show InChI InChI=1S/C44H61N7O14/c1-23(2)17-29(38(58)48-33(22-36(56)57)41(61)50-34(44(64)65)20-28-15-11-8-12-16-28)46-40(60)32(21-35(54)55)47-39(59)30(18-24(3)4)49-43(63)37(25(5)52)51-42(62)31(45-26(6)53)19-27-13-9-7-10-14-27/h7-16,23-25,29-34,37,52H,17-22H2,1-6H3,(H,45,53)(H,46,60)(H,47,59)(H,48,58)(H,49,63)(H,50,61)(H,51,62)(H,54,55)(H,56,57)(H,64,65)/t25-,29-,30-,31-,32-,33-,34-,37-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	71	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))	BDBM50368748 (CHEMBL4177029) Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccccc3Cl)c2c1 |r| Show InChI InChI=1S/C38H57N7O14/c1-18(2)13-24(40-22(7)47)36(56)45-31(21(6)46)37(57)43-25(14-19(3)4)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)15-23-11-9-8-10-12-23/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	75	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))	BDBM50368785 (CHEMBL4167229) Show SMILES Oc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H20ClNO/c20-15-5-3-14(4-6-15)19(9-1-10-19)18-17-12-16(22)7-2-13(17)8-11-21-18/h2-7,12,18,21-22H,1,8-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	124	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))	BDBM50368784 (CHEMBL4173117) Show SMILES CCCCS(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccc(Cl)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C23H30Cl2N2O3S/c1-2-3-12-31(28,29)27-10-11-30-18-7-5-17-6-9-23(26)20(19(17)15-18)13-16-4-8-21(24)22(25)14-16/h4-5,7-8,14-15,20,23,27H,2-3,6,9-13,26H2,1H3/t20-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	136	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))	BDBM50368703 (CHEMBL4168634) Show SMILES CS(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccc(Cl)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C20H24Cl2N2O3S/c1-28(25,26)24-8-9-27-15-5-3-14-4-7-20(23)17(16(14)12-15)10-13-2-6-18(21)19(22)11-13/h2-3,5-6,11-12,17,20,24H,4,7-10,23H2,1H3/t17-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	141	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))	BDBM50368787 (CHEMBL4176912) Show SMILES N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H24Cl2N2O3S2/c24-20-7-3-15(13-21(20)25)12-19-18-14-17(6-4-16(18)5-8-22(19)26)30-10-9-27-32(28,29)23-2-1-11-31-23/h1-4,6-7,11,13-14,19,22,27H,5,8-10,12,26H2/t19-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	163	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))	BDBM50368700 (CHEMBL4168181) Show SMILES O=S(=O)(CC1CC1)NCCOc1ccc2OC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r| Show InChI InChI=1S/C25H32N2O4S/c28-32(29,18-20-7-8-20)26-11-14-30-21-9-10-25-23(16-21)22(15-19-5-2-1-3-6-19)24(17-31-25)27-12-4-13-27/h1-3,5-6,9-10,16,20,22,24,26H,4,7-8,11-15,17-18H2/t22-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	239	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))	BDBM50368769 (CHEMBL4171585) Show SMILES N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3ccccc3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C39H53N7O13/c1-20(2)15-26(44-38(57)32(22(4)47)46-34(53)25(40)16-23-11-7-5-8-12-23)36(55)43-27(18-30(48)49)35(54)41-21(3)33(52)42-28(19-31(50)51)37(56)45-29(39(58)59)17-24-13-9-6-10-14-24/h5-14,20-22,25-29,32,47H,15-19,40H2,1-4H3,(H,41,54)(H,42,52)(H,43,55)(H,44,57)(H,45,56)(H,46,53)(H,48,49)(H,50,51)(H,58,59)/t21-,22-,25-,26-,27-,28-,29-,32-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	660	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
Potassium voltage-gated channel subfamily H member 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG				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
Cytochrome P450 3A4 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in in human liver microsomes in presence of NADPH regeneration mixture using luciferin IPA-OH substrate by P450-Glo assay				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
Potassium voltage-gated channel subfamily H member 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG				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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50368696 (CHEMBL4159833) Show SMILES CCCS(=O)(=O)N[C@@H]1CCN(C1=O)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r| Show InChI InChI=1S/C27H35N3O3S/c1-2-17-34(32,33)28-25-13-16-30(27(25)31)22-11-9-21-10-12-26(29-14-6-15-29)24(23(21)19-22)18-20-7-4-3-5-8-20/h3-5,7-9,11,19,24-26,28H,2,6,10,12-18H2,1H3/t24-,25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG				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
Potassium voltage-gated channel subfamily H member 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG				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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50368785 (CHEMBL4167229) Show SMILES Oc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H20ClNO/c20-15-5-3-14(4-6-15)19(9-1-10-19)18-17-12-16(22)7-2-13(17)8-11-21-18/h2-7,12,18,21-22H,1,8-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in in human liver microsomes in presence of NADPH regeneration mixture using luciferin IPA-OH substrate by P450-Glo assay				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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50368711 (CHEMBL4176494) Show SMILES CCCS(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccc(Cl)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C22H28Cl2N2O3S/c1-2-11-30(27,28)26-9-10-29-17-6-4-16-5-8-22(25)19(18(16)14-17)12-15-3-7-20(23)21(24)13-15/h3-4,6-7,13-14,19,22,26H,2,5,8-12,25H2,1H3/t19-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in in human liver microsomes in presence of NADPH regeneration mixture using luciferin IPA-OH substrate by P450-Glo assay				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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50368766 (CHEMBL4164312) Show SMILES O=S(=O)(CC1CC1)NC1CN(C1)c1ccc2OC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1 |r| Show InChI InChI=1S/C41H56N8O14/c1-20(2)15-27(47-40(61)34(22(4)50)49-39(60)28(44-23(5)51)16-25-11-13-26(42)14-12-25)37(58)46-29(18-32(52)53)36(57)43-21(3)35(56)45-30(19-33(54)55)38(59)48-31(41(62)63)17-24-9-7-6-8-10-24/h6-14,20-22,27-31,34,50H,15-19,42H2,1-5H3,(H,43,57)(H,44,51)(H,45,56)(H,46,58)(H,47,61)(H,48,59)(H,49,60)(H,52,53)(H,54,55)(H,62,63)/t21-,22-,27-,28-,29-,30-,31-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG				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
Potassium voltage-gated channel subfamily H member 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human ERG				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