Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'tunucci' and Initial = 'd'   

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))	BDBM50309960 ((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-tr...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C20H22F4N4O/c1-27-10-18(26-11-27)19(29)28(15-5-13-7-25-8-14(13)6-15)9-12-2-3-17(21)16(4-12)20(22,23)24/h2-4,10-11,13-15,25H,5-9H2,1H3/t13-,14+,15-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293568 (CHEMBL563761 | Cis-N-(3-Chlorobenzyl)-N-(-4-aminoc...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1 |r,wU:17.18,20.22,(3.36,-16.16,;4.05,-14.78,;3.34,-13.41,;4.42,-12.32,;5.8,-13.01,;5.57,-14.53,;7.16,-12.3,;7.23,-10.76,;8.46,-13.13,;9.83,-12.42,;11.12,-13.25,;11.05,-14.78,;12.34,-15.61,;13.71,-14.9,;13.78,-13.36,;15.14,-12.64,;12.48,-12.54,;8.39,-14.67,;7.02,-15.37,;6.95,-16.9,;8.24,-17.73,;8.16,-19.27,;9.61,-17.03,;9.69,-15.48,)| Show InChI InChI=1S/C18H23ClN4O/c1-22-11-17(21-12-22)18(24)23(16-7-5-15(20)6-8-16)10-13-3-2-4-14(19)9-13/h2-4,9,11-12,15-16H,5-8,10,20H2,1H3/t15-,16+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309961 (CHEMBL3217125 | N-((cis)-4-aminocyclohexyl)-N-(3-c...) Show SMILES Cl.Cl.Cl.Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1 |r,wU:20.18,23.22,(13.03,-2.95,;10.47,-2.95,;7.9,-2.95,;2.49,-8.74,;3.22,-7.74,;4.76,-7.75,;5.24,-6.29,;3.99,-5.4,;2.75,-6.28,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;1.33,.77,;1.33,-3.85,;-0,-3.08,;-1.34,-3.84,;-1.34,-5.38,;-2.41,-6,;-.01,-6.16,;1.32,-5.39,)| Show InChI InChI=1S/C18H23ClN4O/c1-22-11-17(21-12-22)18(24)23(16-7-5-15(20)6-8-16)10-13-3-2-4-14(19)9-13/h2-4,9,11-12,15-16H,5-8,10,20H2,1H3/t15-,16+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309959 ((exo)-1-methyl-N-(octahydrocyclopenta[c]pyrrol-5-y...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C20H23F3N4O2/c1-26-11-18(25-12-26)19(28)27(16-6-14-8-24-9-15(14)7-16)10-13-3-2-4-17(5-13)29-20(21,22)23/h2-5,11-12,14-16,24H,6-10H2,1H3/t14-,15+,16-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293558 (1-Methyl-1H-imidazole-4-carboxylic acid(3-ethyl-3-...) Show SMILES CCN1C[C@H]2[C@H](CN(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r| Show InChI InChI=1S/C21H25F3N4O2/c1-3-27-9-16-17(10-27)18(16)11-28(20(29)19-12-26(2)13-25-19)8-14-5-4-6-15(7-14)30-21(22,23)24/h4-7,12-13,16-18H,3,8-11H2,1-2H3/t16-,17+,18+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293557 ((R)-N[3-phenyl-3-(4'-(4-toluoyl)phenoxy)-propyl]sa...) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(=O)c1ccc(C)cc1)c1ccccc1)CC(O)=O |r| Show InChI InChI=1S/C26H27NO4/c1-19-8-10-21(11-9-19)26(30)22-12-14-23(15-13-22)31-24(20-6-4-3-5-7-20)16-17-27(2)18-25(28)29/h3-15,24H,16-18H2,1-2H3,(H,28,29)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293559 (1-Methyl-1H-imidazole-4-carboxylic acid(3-cyclopro...) Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CN(CC3CC3)C[C@H]12)Cc1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C23H27F3N4O2/c1-28-13-21(27-14-28)22(31)30(9-16-3-2-4-17(7-16)32-23(24,25)26)12-20-18-10-29(11-19(18)20)8-15-5-6-15/h2-4,7,13-15,18-20H,5-6,8-12H2,1H3/t18-,19+,20+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293560 (1-Methyl-1H-imidazole-4-carboxylic acid(3-methyl-3...) Show SMILES CN1C[C@H]2[C@H](CN(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r| Show InChI InChI=1S/C20H23F3N4O2/c1-25-8-15-16(9-25)17(15)10-27(19(28)18-11-26(2)12-24-18)7-13-4-3-5-14(6-13)29-20(21,22)23/h3-6,11-12,15-17H,7-10H2,1-2H3/t15-,16+,17+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309958 ((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-cy...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(OC2CCCC2)c1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C24H31FN4O2/c1-28-14-22(27-15-28)24(30)29(19-9-17-11-26-12-18(17)10-19)13-16-6-7-21(25)23(8-16)31-20-4-2-3-5-20/h6-8,14-15,17-20,26H,2-5,9-13H2,1H3/t17-,18+,19-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309954 ((exo)-1-methyl-N-(2-methyloctahydrocyclopenta[c]py...) Show SMILES CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C21H25F3N4O2/c1-26-10-15-7-17(8-16(15)11-26)28(20(29)19-12-27(2)13-25-19)9-14-4-3-5-18(6-14)30-21(22,23)24/h3-6,12-13,15-17H,7-11H2,1-2H3/t15-,16+,17-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309963 ((exo)-N-(2-ethyloctahydrocyclopenta[c]pyrrol-5-yl)...) Show SMILES CCN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C22H26F4N4O/c1-3-29-10-15-7-17(8-16(15)11-29)30(21(31)20-12-28(2)13-27-20)9-14-4-5-19(23)18(6-14)22(24,25)26/h4-6,12-13,15-17H,3,7-11H2,1-2H3/t15-,16+,17-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309966 ((exo)-N-(2-(2-hydroxy-2-phenylethyl)octahydrocyclo...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CC(O)c3ccccc3)C[C@H]2C1 |r| Show InChI InChI=1S/C28H31F3N4O3/c1-33-16-25(32-18-33)27(37)35(13-19-6-5-9-24(10-19)38-28(29,30)31)23-11-21-14-34(15-22(21)12-23)17-26(36)20-7-3-2-4-8-20/h2-10,16,18,21-23,26,36H,11-15,17H2,1H3/t21-,22+,23-,26?	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309962 ((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-tr...) Show SMILES CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C21H24F4N4O/c1-27-9-14-6-16(7-15(14)10-27)29(20(30)19-11-28(2)12-26-19)8-13-3-4-18(22)17(5-13)21(23,24)25/h3-5,11-12,14-16H,6-10H2,1-2H3/t14-,15+,16-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293561 (1-Methyl-1H-imidazole-4-carboxylic acid(3-cyclopen...) Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CN(CC3CCCC3)C[C@H]12)Cc1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C25H31F3N4O2/c1-30-15-23(29-16-30)24(33)32(11-18-7-4-8-19(9-18)34-25(26,27)28)14-22-20-12-31(13-21(20)22)10-17-5-2-3-6-17/h4,7-9,15-17,20-22H,2-3,5-6,10-14H2,1H3/t20-,21+,22+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309969 ((exo)-N-(2-ethyloctahydrocyclopenta[c]pyrrol-5-yl)...) Show SMILES CCN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C22H27F3N4O2/c1-3-28-11-16-8-18(9-17(16)12-28)29(21(30)20-13-27(2)14-26-20)10-15-5-4-6-19(7-15)31-22(23,24)25/h4-7,13-14,16-18H,3,8-12H2,1-2H3/t16-,17+,18-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309970 ((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-cy...) Show SMILES CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(OC2CCCC2)c1)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C25H33FN4O2/c1-28-13-18-10-20(11-19(18)14-28)30(25(31)23-15-29(2)16-27-23)12-17-7-8-22(26)24(9-17)32-21-5-3-4-6-21/h7-9,15-16,18-21H,3-6,10-14H2,1-2H3/t18-,19+,20-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309957 ((exo)-N-(3-isopropoxybenzyl)-1-methyl-N-(octahydro...) Show SMILES CC(C)Oc1cccc(CN([C@@H]2C[C@@H]3CNC[C@@H]3C2)C(=O)c2cn(C)cn2)c1 |r| Show InChI InChI=1S/C22H30N4O2/c1-15(2)28-20-6-4-5-16(7-20)12-26(22(27)21-13-25(3)14-24-21)19-8-17-10-23-11-18(17)9-19/h4-7,13-15,17-19,23H,8-12H2,1-3H3/t17-,18+,19-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309968 ((exo)-N-(2-(2-fluoropropyl)octahydrocyclopenta[c]p...) Show SMILES CC(F)CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C23H28F4N4O2/c1-15(24)9-30-11-17-7-19(8-18(17)12-30)31(22(32)21-13-29(2)14-28-21)10-16-4-3-5-20(6-16)33-23(25,26)27/h3-6,13-15,17-19H,7-12H2,1-2H3/t15?,17-,18+,19-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293562 (1-Methyl-1H-imidazole-4-carboxylic acid(3-chloro-b...) Show SMILES CCN1C[C@H]2[C@H](CN(Cc3cccc(Cl)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r| Show InChI InChI=1S/C20H25ClN4O/c1-3-24-9-16-17(10-24)18(16)11-25(8-14-5-4-6-15(21)7-14)20(26)19-12-23(2)13-22-19/h4-7,12-13,16-18H,3,8-11H2,1-2H3/t16-,17+,18+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309956 ((exo)-N-(3-(cyclopentyloxy)benzyl)-1-methyl-N-(oct...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC2CCCC2)c1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C24H32N4O2/c1-27-15-23(26-16-27)24(29)28(20-10-18-12-25-13-19(18)11-20)14-17-5-4-8-22(9-17)30-21-6-2-3-7-21/h4-5,8-9,15-16,18-21,25H,2-3,6-7,10-14H2,1H3/t18-,19+,20-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309965 ((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-tr...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CC(C)(C)O)C[C@H]2C1 |r| Show InChI InChI=1S/C24H31F3N4O3/c1-23(2,33)14-30-11-17-8-19(9-18(17)12-30)31(22(32)21-13-29(3)15-28-21)10-16-5-4-6-20(7-16)34-24(25,26)27/h4-7,13,15,17-19,33H,8-12,14H2,1-3H3/t17-,18+,19-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309967 ((exo)-1-methyl-N-(3-(trifluoromethoxy)benzyl)-N-(2...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CCC(F)(F)F)C[C@H]2C1 |r| Show InChI InChI=1S/C23H26F6N4O2/c1-31-13-20(30-14-31)21(34)33(10-15-3-2-4-19(7-15)35-23(27,28)29)18-8-16-11-32(12-17(16)9-18)6-5-22(24,25)26/h2-4,7,13-14,16-18H,5-6,8-12H2,1H3/t16-,17+,18-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293563 (1-Methyl-1H-imidazole-4-carboxylic acid(3-chloro-b...) Show SMILES CN1C[C@H]2[C@H](CN(Cc3cccc(Cl)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r| Show InChI InChI=1S/C19H23ClN4O/c1-22-8-15-16(9-22)17(15)10-24(7-13-4-3-5-14(20)6-13)19(25)18-11-23(2)12-21-18/h3-6,11-12,15-17H,7-10H2,1-2H3/t15-,16+,17+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293564 (1-Methyl-1H-imidazole-4-carboxylic acid(3-chloro-4...) Show SMILES CN1C[C@H]2[C@H](CN(Cc3ccc(F)c(Cl)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r| Show InChI InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293565 (1-Methyl-1H-imidazole-4-carboxylic acid(3-aza-bicy...) Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CNC[C@H]12)Cc1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C19H21F3N4O2/c1-25-10-17(24-11-25)18(27)26(9-16-14-6-23-7-15(14)16)8-12-3-2-4-13(5-12)28-19(20,21)22/h2-5,10-11,14-16,23H,6-9H2,1H3/t14-,15+,16+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309964 ((endo)-N-(4-fluoro-3-(trifluoromethyl)benzyl)-1-me...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)[C@H]1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C20H22F4N4O/c1-27-10-18(26-11-27)19(29)28(15-5-13-7-25-8-14(13)6-15)9-12-2-3-17(21)16(4-12)20(22,23)24/h2-4,10-11,13-15,25H,5-9H2,1H3/t13-,14+,15+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293566 (1-Methyl-1H-imidazole-4-carboxylic acid(3-aza-bicy...) Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CNC[C@H]12)Cc1cccc(Cl)c1 |r| Show InChI InChI=1S/C18H21ClN4O/c1-22-10-17(21-11-22)18(24)23(8-12-3-2-4-13(19)5-12)9-16-14-6-20-7-15(14)16/h2-5,10-11,14-16,20H,6-9H2,1H3/t14-,15+,16+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293567 (1-Methyl-1H-imidazole-4-carboxylic acid(3-aza-bicy...) Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CNC[C@H]12)Cc1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C18H20ClFN4O/c1-23-9-17(22-10-23)18(25)24(8-14-12-5-21-6-13(12)14)7-11-2-3-16(20)15(19)4-11/h2-4,9-10,12-14,21H,5-8H2,1H3/t12-,13+,14+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50309966 ((exo)-N-(2-(2-hydroxy-2-phenylethyl)octahydrocyclo...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CC(O)c3ccccc3)C[C@H]2C1 |r| Show InChI InChI=1S/C28H31F3N4O3/c1-33-16-25(32-18-33)27(37)35(13-19-6-5-9-24(10-19)38-28(29,30)31)23-11-21-14-34(15-22(21)12-23)17-26(36)20-7-3-2-4-8-20/h2-10,16,18,21-23,26,36H,11-15,17H2,1H3/t21-,22+,23-,26?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	177	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50309955 ((exo)-N-(3-(cyclopentyloxy)-4-methoxybenzyl)-1-met...) Show SMILES COc1ccc(CN([C@@H]2C[C@@H]3CNC[C@@H]3C2)C(=O)c2cn(C)cn2)cc1OC1CCCC1 |r| Show InChI InChI=1S/C25H34N4O3/c1-28-15-22(27-16-28)25(30)29(20-10-18-12-26-13-19(18)11-20)14-17-7-8-23(31-2)24(9-17)32-21-5-3-4-6-21/h7-9,15-16,18-21,26H,3-6,10-14H2,1-2H3/t18-,19+,20-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>641	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50309959 ((exo)-1-methyl-N-(octahydrocyclopenta[c]pyrrol-5-y...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C20H23F3N4O2/c1-26-11-18(25-12-26)19(28)27(16-6-14-8-24-9-15(14)7-16)10-13-3-2-4-17(5-13)29-20(21,22)23/h2-5,11-12,14-16,24H,6-10H2,1H3/t14-,15+,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50309962 ((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-tr...) Show SMILES CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C21H24F4N4O/c1-27-9-14-6-16(7-15(14)10-27)29(20(30)19-11-28(2)12-26-19)8-13-3-4-18(22)17(5-13)21(23,24)25/h3-5,11-12,14-16H,6-10H2,1-2H3/t14-,15+,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50309969 ((exo)-N-(2-ethyloctahydrocyclopenta[c]pyrrol-5-yl)...) Show SMILES CCN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C22H27F3N4O2/c1-3-28-11-16-8-18(9-17(16)12-28)29(21(30)20-13-27(2)14-26-20)10-15-5-4-6-19(7-15)31-22(23,24)25/h4-7,13-14,16-18H,3,8-12H2,1-2H3/t16-,17+,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50309954 ((exo)-1-methyl-N-(2-methyloctahydrocyclopenta[c]py...) Show SMILES CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C21H25F3N4O2/c1-26-10-15-7-17(8-16(15)11-26)28(20(29)19-12-27(2)13-25-19)9-14-4-3-5-18(6-14)30-21(22,23)24/h3-6,12-13,15-17H,7-11H2,1-2H3/t15-,16+,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50309960 ((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-tr...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C20H22F4N4O/c1-27-10-18(26-11-27)19(29)28(15-5-13-7-25-8-14(13)6-15)9-12-2-3-17(21)16(4-12)20(22,23)24/h2-4,10-11,13-15,25H,5-9H2,1H3/t13-,14+,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50309961 (CHEMBL3217125 | N-((cis)-4-aminocyclohexyl)-N-(3-c...) Show SMILES Cl.Cl.Cl.Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1 |r,wU:20.18,23.22,(13.03,-2.95,;10.47,-2.95,;7.9,-2.95,;2.49,-8.74,;3.22,-7.74,;4.76,-7.75,;5.24,-6.29,;3.99,-5.4,;2.75,-6.28,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;1.33,.77,;1.33,-3.85,;-0,-3.08,;-1.34,-3.84,;-1.34,-5.38,;-2.41,-6,;-.01,-6.16,;1.32,-5.39,)| Show InChI InChI=1S/C18H23ClN4O/c1-22-11-17(21-12-22)18(24)23(16-7-5-15(20)6-8-16)10-13-3-2-4-14(19)9-13/h2-4,9,11-12,15-16H,5-8,10,20H2,1H3/t15-,16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50309965 ((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-tr...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CC(C)(C)O)C[C@H]2C1 |r| Show InChI InChI=1S/C24H31F3N4O3/c1-23(2,33)14-30-11-17-8-19(9-18(17)12-30)31(22(32)21-13-29(3)15-28-21)10-16-5-4-6-20(7-16)34-24(25,26)27/h4-7,13,15,17-19,33H,8-12,14H2,1-3H3/t17-,18+,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50309963 ((exo)-N-(2-ethyloctahydrocyclopenta[c]pyrrol-5-yl)...) Show SMILES CCN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C22H26F4N4O/c1-3-29-10-15-7-17(8-16(15)11-29)30(21(31)20-12-28(2)13-27-20)9-14-4-5-19(23)18(6-14)22(24,25)26/h4-6,12-13,15-17H,3,7-11H2,1-2H3/t15-,16+,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50309967 ((exo)-1-methyl-N-(3-(trifluoromethoxy)benzyl)-N-(2...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CCC(F)(F)F)C[C@H]2C1 |r| Show InChI InChI=1S/C23H26F6N4O2/c1-31-13-20(30-14-31)21(34)33(10-15-3-2-4-19(7-15)35-23(27,28)29)18-8-16-11-32(12-17(16)9-18)6-5-22(24,25)26/h2-4,7,13-14,16-18H,5-6,8-12H2,1H3/t16-,17+,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50309964 ((endo)-N-(4-fluoro-3-(trifluoromethyl)benzyl)-1-me...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)[C@H]1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C20H22F4N4O/c1-27-10-18(26-11-27)19(29)28(15-5-13-7-25-8-14(13)6-15)9-12-2-3-17(21)16(4-12)20(22,23)24/h2-4,10-11,13-15,25H,5-9H2,1H3/t13-,14+,15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50309958 ((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-cy...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(OC2CCCC2)c1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C24H31FN4O2/c1-28-14-22(27-15-28)24(30)29(19-9-17-11-26-12-18(17)10-19)13-16-6-7-21(25)23(8-16)31-20-4-2-3-5-20/h6-8,14-15,17-20,26H,2-5,9-13H2,1H3/t17-,18+,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50309970 ((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-cy...) Show SMILES CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(OC2CCCC2)c1)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C25H33FN4O2/c1-28-13-18-10-20(11-19(18)14-28)30(25(31)23-15-29(2)16-27-23)12-17-7-8-22(26)24(9-17)32-21-5-3-4-6-21/h7-9,15-16,18-21H,3-6,10-14H2,1-2H3/t18-,19+,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50309968 ((exo)-N-(2-(2-fluoropropyl)octahydrocyclopenta[c]p...) Show SMILES CC(F)CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C23H28F4N4O2/c1-15(24)9-30-11-17-7-19(8-18(17)12-30)31(22(32)21-13-29(2)14-28-21)10-16-4-3-5-20(6-16)33-23(25,26)27/h3-6,13-15,17-19H,7-12H2,1-2H3/t15?,17-,18+,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50203572 ((1-(4-(6-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl...) Show SMILES OCC1(CCCC1)N1CCN(CC1)C1CCc2ccc(OCc3noc(n3)-c3ccc(Cl)cc3)cc12 |w:13.14| Show InChI InChI=1S/C28H33ClN4O3/c29-22-7-3-21(4-8-22)27-30-26(31-36-27)18-35-23-9-5-20-6-10-25(24(20)17-23)32-13-15-33(16-14-32)28(19-34)11-1-2-12-28/h3-5,7-9,17,25,34H,1-2,6,10-16,18-19H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50309967 ((exo)-1-methyl-N-(3-(trifluoromethoxy)benzyl)-N-(2...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CCC(F)(F)F)C[C@H]2C1 |r| Show InChI InChI=1S/C23H26F6N4O2/c1-31-13-20(30-14-31)21(34)33(10-15-3-2-4-19(7-15)35-23(27,28)29)18-8-16-11-32(12-17(16)9-18)6-5-22(24,25)26/h2-4,7,13-14,16-18H,5-6,8-12H2,1H3/t16-,17+,18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50293561 (1-Methyl-1H-imidazole-4-carboxylic acid(3-cyclopen...) Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CN(CC3CCCC3)C[C@H]12)Cc1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C25H31F3N4O2/c1-30-15-23(29-16-30)24(33)32(11-18-7-4-8-19(9-18)34-25(26,27)28)14-22-20-12-31(13-21(20)22)10-17-5-2-3-6-17/h4,7-9,15-17,20-22H,2-3,5-6,10-14H2,1H3/t20-,21+,22+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition human ERG expressed in HEK293 cells assessed as blockade of membrane current by patch clamp method				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50293559 (1-Methyl-1H-imidazole-4-carboxylic acid(3-cyclopro...) Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CN(CC3CC3)C[C@H]12)Cc1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C23H27F3N4O2/c1-28-13-21(27-14-28)22(31)30(9-16-3-2-4-17(7-16)32-23(24,25)26)12-20-18-10-29(11-19(18)20)8-15-5-6-15/h2-4,7,13-15,18-20H,5-6,8-12H2,1H3/t18-,19+,20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition human ERG expressed in HEK293 cells assessed as blockade of membrane current by patch clamp method				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50309965 ((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-tr...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CC(C)(C)O)C[C@H]2C1 |r| Show InChI InChI=1S/C24H31F3N4O3/c1-23(2,33)14-30-11-17-8-19(9-18(17)12-30)31(22(32)21-13-29(3)15-28-21)10-16-5-4-6-20(7-16)34-24(25,26)27/h4-7,13,15,17-19,33H,8-12,14H2,1-3H3/t17-,18+,19-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50309969 ((exo)-N-(2-ethyloctahydrocyclopenta[c]pyrrol-5-yl)...) Show SMILES CCN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C22H27F3N4O2/c1-3-28-11-16-8-18(9-17(16)12-28)29(21(30)20-13-27(2)14-26-20)10-15-5-4-6-19(7-15)31-22(23,24)25/h4-7,13-14,16-18H,3,8-12H2,1-2H3/t16-,17+,18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 907-11 (2010) Article DOI: 10.1016/j.bmcl.2009.12.071 BindingDB Entry DOI: 10.7270/Q2Z31ZR5
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50293568 (CHEMBL563761 | Cis-N-(3-Chlorobenzyl)-N-(-4-aminoc...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1 |r,wU:17.18,20.22,(3.36,-16.16,;4.05,-14.78,;3.34,-13.41,;4.42,-12.32,;5.8,-13.01,;5.57,-14.53,;7.16,-12.3,;7.23,-10.76,;8.46,-13.13,;9.83,-12.42,;11.12,-13.25,;11.05,-14.78,;12.34,-15.61,;13.71,-14.9,;13.78,-13.36,;15.14,-12.64,;12.48,-12.54,;8.39,-14.67,;7.02,-15.37,;6.95,-16.9,;8.24,-17.73,;8.16,-19.27,;9.61,-17.03,;9.69,-15.48,)| Show InChI InChI=1S/C18H23ClN4O/c1-22-11-17(21-12-22)18(24)23(16-7-5-15(20)6-8-16)10-13-3-2-4-14(19)9-13/h2-4,9,11-12,15-16H,5-8,10,20H2,1H3/t15-,16+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]glycine from GlyT2				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair

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