Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'blunt' and Initial = 'r'   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50313618 (1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazo...) Show SMILES Clc1cccc(c1)N1CCN(CC2CCCCN2)C1=O Show InChI InChI=1S/C15H20ClN3O/c16-12-4-3-6-14(10-12)19-9-8-18(15(19)20)11-13-5-1-2-7-17-13/h3-4,6,10,13,17H,1-2,5,7-9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity at histamine H1 receptor				Bioorg Med Chem Lett 20: 2013-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.090 BindingDB Entry DOI: 10.7270/Q27P8ZJG
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50313619 (2-((3-phenylimidazolidin-1-yl)methyl)piperidine | ...) Show SMILES C(C1CCCCN1)N1CCN(C1)c1ccccc1 Show InChI InChI=1S/C15H23N3/c1-2-7-15(8-3-1)18-11-10-17(13-18)12-14-6-4-5-9-16-14/h1-3,7-8,14,16H,4-6,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity at histamine H1 receptor				Bioorg Med Chem Lett 20: 2013-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.090 BindingDB Entry DOI: 10.7270/Q27P8ZJG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419229 (CHEMBL1835891) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccc(cc2)-c2ccccn2)c1 Show InChI InChI=1S/C26H25F2N3O2/c27-20-14-21(28)16-22(15-20)30-25(32)17-31(23-6-2-1-3-7-23)26(33)19-11-9-18(10-12-19)24-8-4-5-13-29-24/h4-5,8-16,23H,1-3,6-7,17H2,(H,30,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419211 (CHEMBL1834679) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCC2)C(=O)c2ccc(cc2)-c2ccccn2)c1 Show InChI InChI=1S/C25H23F2N3O2/c26-19-13-20(27)15-21(14-19)29-24(31)16-30(22-5-1-2-6-22)25(32)18-10-8-17(9-11-18)23-7-3-4-12-28-23/h3-4,7-15,22H,1-2,5-6,16H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419233 (CHEMBL1835890) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccc(cc2)N2CCCC2)c1 Show InChI InChI=1S/C25H29F2N3O2/c26-19-14-20(27)16-21(15-19)28-24(31)17-30(23-6-2-1-3-7-23)25(32)18-8-10-22(11-9-18)29-12-4-5-13-29/h8-11,14-16,23H,1-7,12-13,17H2,(H,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419245 (CHEMBL1834681) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCOC2)C(=O)c2ccc(cc2)-c2ccccn2)c1 Show InChI InChI=1S/C25H23F2N3O3/c26-19-12-20(27)14-21(13-19)29-24(31)15-30(22-4-3-11-33-16-22)25(32)18-8-6-17(7-9-18)23-5-1-2-10-28-23/h1-2,5-10,12-14,22H,3-4,11,15-16H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419209 (CHEMBL1835899) Show SMILES CC(C)CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C24H23F2N3O2/c1-16(2)14-29(15-23(30)28-21-12-19(25)11-20(26)13-21)24(31)18-8-6-17(7-9-18)22-5-3-4-10-27-22/h3-13,16H,14-15H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419246 (CHEMBL1834684) Show SMILES Fc1cc(F)cc(NC(=O)CN(CC2CCC2)C(=O)c2ccc(cc2)-c2ccccn2)c1 Show InChI InChI=1S/C25H23F2N3O2/c26-20-12-21(27)14-22(13-20)29-24(31)16-30(15-17-4-3-5-17)25(32)19-9-7-18(8-10-19)23-6-1-2-11-28-23/h1-2,6-14,17H,3-5,15-16H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419230 (CHEMBL1835889) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccc(nc2)N2CCCC2)c1 Show InChI InChI=1S/C24H28F2N4O2/c25-18-12-19(26)14-20(13-18)28-23(31)16-30(21-6-2-1-3-7-21)24(32)17-8-9-22(27-15-17)29-10-4-5-11-29/h8-9,12-15,21H,1-7,10-11,16H2,(H,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419210 (CHEMBL1834678) Show SMILES Fc1cc(F)cc(NC(=O)CN(CC2CC2)C(=O)c2ccc(cc2)-c2ccccn2)c1 Show InChI InChI=1S/C24H21F2N3O2/c25-19-11-20(26)13-21(12-19)28-23(30)15-29(14-16-4-5-16)24(31)18-8-6-17(7-9-18)22-3-1-2-10-27-22/h1-3,6-13,16H,4-5,14-15H2,(H,28,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419220 (CHEMBL1835898) Show SMILES COc1ccc(cc1)C(=O)N(Cc1cc(on1)-c1ccccc1)C1CCCCC1 Show InChI InChI=1S/C24H26N2O3/c1-28-22-14-12-19(13-15-22)24(27)26(21-10-6-3-7-11-21)17-20-16-23(29-25-20)18-8-4-2-5-9-18/h2,4-5,8-9,12-16,21H,3,6-7,10-11,17H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419218 (CHEMBL1834683) Show SMILES CCC(C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C24H23F2N3O2/c1-3-16(2)29(15-23(30)28-21-13-19(25)12-20(26)14-21)24(31)18-9-7-17(8-10-18)22-6-4-5-11-27-22/h4-14,16H,3,15H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419228 (CHEMBL1835879) Show SMILES COc1ccc(cc1)C(=O)N(CC(=O)Nc1cc(F)cc(F)c1)C1CCCCC1 Show InChI InChI=1S/C22H24F2N2O3/c1-29-20-9-7-15(8-10-20)22(28)26(19-5-3-2-4-6-19)14-21(27)25-18-12-16(23)11-17(24)13-18/h7-13,19H,2-6,14H2,1H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419224 (CHEMBL1835888) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccc(cc2)-n2ccnc2)c1 Show InChI InChI=1S/C24H24F2N4O2/c25-18-12-19(26)14-20(13-18)28-23(31)15-30(22-4-2-1-3-5-22)24(32)17-6-8-21(9-7-17)29-11-10-27-16-29/h6-14,16,22H,1-5,15H2,(H,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419208 (CHEMBL1835674) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C21H21ClF2N2O2/c22-15-8-6-14(7-9-15)21(28)26(19-4-2-1-3-5-19)13-20(27)25-18-11-16(23)10-17(24)12-18/h6-12,19H,1-5,13H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419216 (CHEMBL1834686) Show SMILES COCCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C23H21F2N3O3/c1-31-11-10-28(15-22(29)27-20-13-18(24)12-19(25)14-20)23(30)17-7-5-16(6-8-17)21-4-2-3-9-26-21/h2-9,12-14H,10-11,15H2,1H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50313618 (1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazo...) Show SMILES Clc1cccc(c1)N1CCN(CC2CCCCN2)C1=O Show InChI InChI=1S/C15H20ClN3O/c16-12-4-3-6-14(10-12)19-9-8-18(15(19)20)11-13-5-1-2-7-17-13/h3-4,6,10,13,17H,1-2,5,7-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 by spectrafluorometry				Bioorg Med Chem Lett 20: 2013-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.090 BindingDB Entry DOI: 10.7270/Q27P8ZJG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419213 (CHEMBL1834682) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCOCC2)C(=O)c2ccc(cc2)-c2ccccn2)c1 Show InChI InChI=1S/C25H23F2N3O3/c26-19-13-20(27)15-21(14-19)29-24(31)16-30(22-8-11-33-12-9-22)25(32)18-6-4-17(5-7-18)23-3-1-2-10-28-23/h1-7,10,13-15,22H,8-9,11-12,16H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419215 (CHEMBL1834687) Show SMILES CCC(COC)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C25H25F2N3O3/c1-3-22(16-33-2)30(15-24(31)29-21-13-19(26)12-20(27)14-21)25(32)18-9-7-17(8-10-18)23-6-4-5-11-28-23/h4-14,22H,3,15-16H2,1-2H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419217 (CHEMBL1834685) Show SMILES COCC(C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C24H23F2N3O3/c1-16(15-32-2)29(14-23(30)28-21-12-19(25)11-20(26)13-21)24(31)18-8-6-17(7-9-18)22-5-3-4-10-27-22/h3-13,16H,14-15H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419214 (CHEMBL1834688) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCOC2)C(=O)c2ccc(cc2)-c2ccccn2)c1 Show InChI InChI=1S/C24H21F2N3O3/c25-18-11-19(26)13-20(12-18)28-23(30)14-29(21-8-10-32-15-21)24(31)17-6-4-16(5-7-17)22-3-1-2-9-27-22/h1-7,9,11-13,21H,8,10,14-15H2,(H,28,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419212 (CHEMBL1834680) Show SMILES CC(C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C23H21F2N3O2/c1-15(2)28(14-22(29)27-20-12-18(24)11-19(25)13-20)23(30)17-8-6-16(7-9-17)21-5-3-4-10-26-21/h3-13,15H,14H2,1-2H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419231 (CHEMBL1835885) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C21H21ClF2N2O2/c22-15-6-4-5-14(9-15)21(28)26(19-7-2-1-3-8-19)13-20(27)25-18-11-16(23)10-17(24)12-18/h4-6,9-12,19H,1-3,7-8,13H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419221 (CHEMBL1835897) Show SMILES COc1ccc(cc1)C(=O)N(Cc1ccc(o1)-c1ccc(Cl)cc1)C1CCCCC1 Show InChI InChI=1S/C25H26ClNO3/c1-29-22-13-9-19(10-14-22)25(28)27(21-5-3-2-4-6-21)17-23-15-16-24(30-23)18-7-11-20(26)12-8-18/h7-16,21H,2-6,17H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50411560 (CHEMBL240436) Show SMILES CCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C24H25ClN2O3S/c1-3-20-6-4-5-7-23(20)27(31(29,30)22-14-8-18(2)9-15-22)17-24(28)26-16-19-10-12-21(25)13-11-19/h4-15H,3,16-17H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 17: 1750-4 (2007) Article DOI: 10.1016/j.bmcl.2006.12.060 BindingDB Entry DOI: 10.7270/Q2SB470M
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419238 (CHEMBL1835878) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)Nc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C21H22ClF2N3O2/c22-14-6-8-17(9-7-14)26-21(29)27(19-4-2-1-3-5-19)13-20(28)25-18-11-15(23)10-16(24)12-18/h6-12,19H,1-5,13H2,(H,25,28)(H,26,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419232 (CHEMBL1835896) Show SMILES COc1ccc(cc1)C(=O)N(Cc1cn(nn1)-c1ccccc1)C1CCCCC1 Show InChI InChI=1S/C23H26N4O2/c1-29-22-14-12-18(13-15-22)23(28)26(20-8-4-2-5-9-20)16-19-17-27(25-24-19)21-10-6-3-7-11-21/h3,6-7,10-15,17,20H,2,4-5,8-9,16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419241 (CHEMBL1835677) Show SMILES CC(C)CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H19ClF2N2O2/c1-12(2)10-24(19(26)13-3-5-14(20)6-4-13)11-18(25)23-17-8-15(21)7-16(22)9-17/h3-9,12H,10-11H2,1-2H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419243 (CHEMBL1835675) Show SMILES CC(N(C1CCCCC1)C(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(F)cc(F)c1 Show InChI InChI=1S/C22H23ClF2N2O2/c1-14(21(28)26-19-12-17(24)11-18(25)13-19)27(20-5-3-2-4-6-20)22(29)15-7-9-16(23)10-8-15/h7-14,20H,2-6H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50411560 (CHEMBL240436) Show SMILES CCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C24H25ClN2O3S/c1-3-20-6-4-5-7-23(20)27(31(29,30)22-14-8-18(2)9-15-22)17-24(28)26-16-19-10-12-21(25)13-11-19/h4-15H,3,16-17H2,1-2H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of FP receptor				Bioorg Med Chem Lett 17: 1750-4 (2007) Article DOI: 10.1016/j.bmcl.2006.12.060 BindingDB Entry DOI: 10.7270/Q2SB470M
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419234 (CHEMBL1835881) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)C2CCOCC2)c1 Show InChI InChI=1S/C20H26F2N2O3/c21-15-10-16(22)12-17(11-15)23-19(25)13-24(18-4-2-1-3-5-18)20(26)14-6-8-27-9-7-14/h10-12,14,18H,1-9,13H2,(H,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50419233 (CHEMBL1835890) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccc(cc2)N2CCCC2)c1 Show InChI InChI=1S/C25H29F2N3O2/c26-19-14-20(27)16-21(15-19)28-24(31)17-30(23-6-2-1-3-7-23)25(32)18-8-10-22(11-9-18)29-12-4-5-13-29/h8-11,14-16,23H,1-7,12-13,17H2,(H,28,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT2 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50411560 (CHEMBL240436) Show SMILES CCc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C24H25ClN2O3S/c1-3-20-6-4-5-7-23(20)27(31(29,30)22-14-8-18(2)9-15-22)17-24(28)26-16-19-10-12-21(25)13-11-19/h4-15H,3,16-17H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 17: 1750-4 (2007) Article DOI: 10.1016/j.bmcl.2006.12.060 BindingDB Entry DOI: 10.7270/Q2SB470M
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419244 (CHEMBL1835882) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)C2CCCCC2)c1 Show InChI InChI=1S/C21H28F2N2O2/c22-16-11-17(23)13-18(12-16)24-20(26)14-25(19-9-5-2-6-10-19)21(27)15-7-3-1-4-8-15/h11-13,15,19H,1-10,14H2,(H,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50419219 (CHEMBL1835895) Show SMILES COc1ccc(cc1)C(=O)N(Cc1cnc([nH]1)-c1ccccc1)C1CCCCC1 Show InChI InChI=1S/C24H27N3O2/c1-29-22-14-12-19(13-15-22)24(28)27(21-10-6-3-7-11-21)17-20-16-25-23(26-20)18-8-4-2-5-9-18/h2,4-5,8-9,12-16,21H,3,6-7,10-11,17H2,1H3,(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	<6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT2 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419235 (CHEMBL1835894) Show SMILES COc1ccc(cc1)C(=O)N(Cc1csc(n1)-c1ccccc1)C1CCCCC1 Show InChI InChI=1S/C24H26N2O2S/c1-28-22-14-12-19(13-15-22)24(27)26(21-10-6-3-7-11-21)16-20-17-29-23(25-20)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50419230 (CHEMBL1835889) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccc(nc2)N2CCCC2)c1 Show InChI InChI=1S/C24H28F2N4O2/c25-18-12-19(26)14-20(13-18)28-23(31)16-30(21-6-2-1-3-7-21)24(32)17-8-9-22(27-15-17)29-10-4-5-11-29/h8-9,12-15,21H,1-7,10-11,16H2,(H,28,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT2 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50313618 (1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazo...) Show SMILES Clc1cccc(c1)N1CCN(CC2CCCCN2)C1=O Show InChI InChI=1S/C15H20ClN3O/c16-12-4-3-6-14(10-12)19-9-8-18(15(19)20)11-13-5-1-2-7-17-13/h3-4,6,10,13,17H,1-2,5,7-9,11H2	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	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by scintillation proximity assay				Bioorg Med Chem Lett 20: 2013-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.090 BindingDB Entry DOI: 10.7270/Q27P8ZJG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50419208 (CHEMBL1835674) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C21H21ClF2N2O2/c22-15-8-6-14(7-9-15)21(28)26(19-4-2-1-3-5-19)13-20(27)25-18-11-16(23)10-17(24)12-18/h6-12,19H,1-5,13H2,(H,25,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT2 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419242 (CHEMBL1835676) Show SMILES Fc1cc(F)cc(NC(=O)CCN(C2CCCCC2)C(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H23ClF2N2O2/c23-16-8-6-15(7-9-16)22(29)27(20-4-2-1-3-5-20)11-10-21(28)26-19-13-17(24)12-18(25)14-19/h6-9,12-14,20H,1-5,10-11H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50313619 (2-((3-phenylimidazolidin-1-yl)methyl)piperidine | ...) Show SMILES C(C1CCCCN1)N1CCN(C1)c1ccccc1 Show InChI InChI=1S/C15H23N3/c1-2-7-15(8-3-1)18-11-10-17(13-18)12-14-6-4-5-9-16-14/h1-3,7-8,14,16H,4-6,9-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 by spectrafluorometry				Bioorg Med Chem Lett 20: 2013-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.090 BindingDB Entry DOI: 10.7270/Q27P8ZJG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50419238 (CHEMBL1835878) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)Nc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C21H22ClF2N3O2/c22-14-6-8-17(9-7-14)26-21(29)27(19-4-2-1-3-5-19)13-20(28)25-18-11-15(23)10-16(24)12-18/h6-12,19H,1-5,13H2,(H,25,28)(H,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT2 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50313619 (2-((3-phenylimidazolidin-1-yl)methyl)piperidine | ...) Show SMILES C(C1CCCCN1)N1CCN(C1)c1ccccc1 Show InChI InChI=1S/C15H23N3/c1-2-7-15(8-3-1)18-11-10-17(13-18)12-14-6-4-5-9-16-14/h1-3,7-8,14,16H,4-6,9-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by scintillation proximity assay				Bioorg Med Chem Lett 20: 2013-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.090 BindingDB Entry DOI: 10.7270/Q27P8ZJG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50419231 (CHEMBL1835885) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C21H21ClF2N2O2/c22-15-6-4-5-14(9-15)21(28)26(19-7-2-1-3-8-19)13-20(27)25-18-11-16(23)10-17(24)12-18/h4-6,9-12,19H,1-3,7-8,13H2,(H,25,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT2 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50419235 (CHEMBL1835894) Show SMILES COc1ccc(cc1)C(=O)N(Cc1csc(n1)-c1ccccc1)C1CCCCC1 Show InChI InChI=1S/C24H26N2O2S/c1-28-22-14-12-19(13-15-22)24(27)26(21-10-6-3-7-11-21)16-20-17-29-23(25-20)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT2 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419240 (CHEMBL1835876) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H21ClF2N2O3S/c21-14-6-8-19(9-7-14)29(27,28)25(18-4-2-1-3-5-18)13-20(26)24-17-11-15(22)10-16(23)12-17/h6-12,18H,1-5,13H2,(H,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419222 (CHEMBL1835893) Show SMILES COc1ccc(cc1)C(=O)N(Cc1c(C)noc1-c1ccccc1)C1CCCCC1 Show InChI InChI=1S/C25H28N2O3/c1-18-23(24(30-26-18)19-9-5-3-6-10-19)17-27(21-11-7-4-8-12-21)25(28)20-13-15-22(29-2)16-14-20/h3,5-6,9-10,13-16,21H,4,7-8,11-12,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50419244 (CHEMBL1835882) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)C2CCCCC2)c1 Show InChI InChI=1S/C21H28F2N2O2/c22-16-11-17(23)13-18(12-16)24-20(26)14-25(19-9-5-2-6-10-19)21(27)15-7-3-1-4-8-15/h11-13,15,19H,1-10,14H2,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT2 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419236 (CHEMBL1835887) Show SMILES CN(C)CCOc1ccc(cc1)C(=O)N(CC(=O)Nc1cc(F)cc(F)c1)C1CCCCC1 Show InChI InChI=1S/C25H31F2N3O3/c1-29(2)12-13-33-23-10-8-18(9-11-23)25(32)30(22-6-4-3-5-7-22)17-24(31)28-21-15-19(26)14-20(27)16-21/h8-11,14-16,22H,3-7,12-13,17H2,1-2H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50419237 (CHEMBL1835886) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C21H21ClF2N2O2/c22-19-9-5-4-8-18(19)21(28)26(17-6-2-1-3-7-17)13-20(27)25-16-11-14(23)10-15(24)12-16/h4-5,8-12,17H,1-3,6-7,13H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
					More data for this Ligand-Target Pair

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