Compile Data Set for Download or QSAR

Found 882 hits with Last Name = 'han' and Initial = 'sm'   

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
Gamma-aminobutyric acid receptor subunit alpha-1 [G157C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.190	-55.5	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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
Gamma-aminobutyric acid receptor subunit alpha-1 [T206C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26265 ((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...) Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12 Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.830	-51.8	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					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
Gamma-aminobutyric acid receptor subunit alpha-1 [V202C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.5	-50.4	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Gamma-aminobutyric acid receptor subunit alpha-5 [32-462]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2	-49.2	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [T206C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.10	-49.5	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [T162C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.20	-49.4	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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
Gamma-aminobutyric acid receptor subunit alpha-1 [G200C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,D95C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	3.10	-48.6	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26267 (RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.10	-48.1	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	3.30	-47.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,R224C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	3.30	-48.4	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,R183C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	3.70	-48.1	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,L179C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	3.80	-48.1	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [A160C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4	-47.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [V211C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.10	-47.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,R233C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	4.10	-47.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,T120C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	4.40	-47.7	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,T165C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	4.40	-47.7	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6 [20-453]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26267 (RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.10	-46.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Gamma-aminobutyric acid receptor subunit alpha-2 [29-451]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.70	-46.6	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tripeptidyl-peptidase 2 (Rattus norvegicus)	BDBM50176918 ((2S)-aminobutyryl-(2S)-indoline carboxylic acid pr...) Show SMILES CCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC |r| Show InChI InChI=1S/C16H23N3O2/c1-3-9-18-15(20)14-10-11-7-5-6-8-13(11)19(14)16(21)12(17)4-2/h5-8,12,14H,3-4,9-10,17H2,1-2H3,(H,18,20)/t12-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of TPPII in rat cererbral membrane				J Med Chem 48: 7333-42 (2005) Article DOI: 10.1021/jm0500830 BindingDB Entry DOI: 10.7270/Q2KK9CMS
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 [S205C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.5	-46.7	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tripeptidyl-peptidase 2 (Rattus norvegicus)	BDBM50121282 ((S)-1-((S)-2-aminobutanoyl)-N-butylindoline-2-carb...) Show SMILES CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC Show InChI InChI=1S/C17H25N3O2/c1-3-5-10-19-16(21)15-11-12-8-6-7-9-14(12)20(15)17(22)13(18)4-2/h6-9,13,15H,3-5,10-11,18H2,1-2H3,(H,19,21)/t13-,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of TPPII in rat cererbral membrane				J Med Chem 48: 7333-42 (2005) Article DOI: 10.1021/jm0500830 BindingDB Entry DOI: 10.7270/Q2KK9CMS
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 [29-492]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8.10	-45.7	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [S204C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8.80	-46.0	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,A118C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	9.20	-45.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,T181C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	9.20	-45.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-200],P14867[176-456] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	9.60	-45.8	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tripeptidyl-peptidase 2 (Rattus norvegicus)	BDBM50176940 ((2S)-aminobutyryl-(2S)-indoline carboxylic acid et...) Show SMILES CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC |r| Show InChI InChI=1S/C15H21N3O2/c1-3-11(16)15(20)18-12-8-6-5-7-10(12)9-13(18)14(19)17-4-2/h5-8,11,13H,3-4,9,16H2,1-2H3,(H,17,19)/t11-,13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of TPPII in rat cererbral membrane				J Med Chem 48: 7333-42 (2005) Article DOI: 10.1021/jm0500830 BindingDB Entry DOI: 10.7270/Q2KK9CMS
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,R171C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	13	-45.0	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,M169C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	13.8	-44.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [F99C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	15	-44.2	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)

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