Compile Data Set for Download or QSAR

Found 314 hits with Last Name = 'barta' and Initial = 'ns'   

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-dependent serotonin transporter (Homo sapiens (Human))	BDBM50309512 (2-(2,3-dichlorophenoxy)-3-(piperidin-4-yl)pyridine...) Show SMILES Clc1cccc(Oc2ncccc2C2CCNCC2)c1Cl Show InChI InChI=1S/C16H16Cl2N2O/c17-13-4-1-5-14(15(13)18)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2	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 and Development Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50309515 (2-(2,4-dichlorophenoxy)-3-(piperidin-4-yl)pyridine...) Show SMILES Clc1ccc(Oc2ncccc2C2CCNCC2)c(Cl)c1 Show InChI InChI=1S/C16H16Cl2N2O/c17-12-3-4-15(14(18)10-12)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	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 Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50309523 (1-(2-(2-chloro-6-fluorophenoxy)pyridin-3-yl)pipera...) Show SMILES Fc1cccc(Cl)c1Oc1ncccc1N1CCNCC1 Show InChI InChI=1S/C15H15ClFN3O/c16-11-3-1-4-12(17)14(11)21-15-13(5-2-6-19-15)20-9-7-18-8-10-20/h1-6,18H,7-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	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 Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50309522 (1-(2-(2-chlorophenoxy)pyridin-3-yl)piperazine | CH...) Show SMILES Clc1ccccc1Oc1ncccc1N1CCNCC1 Show InChI InChI=1S/C15H16ClN3O/c16-12-4-1-2-6-14(12)20-15-13(5-3-7-18-15)19-10-8-17-9-11-19/h1-7,17H,8-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	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 Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50309505 (4-(2-fluoro-6-(2-fluorophenoxy)phenyl)piperidine |...) Show SMILES Fc1ccccc1Oc1cccc(F)c1C1CCNCC1 Show InChI InChI=1S/C17H17F2NO/c18-13-4-1-2-6-15(13)21-16-7-3-5-14(19)17(16)12-8-10-20-11-9-12/h1-7,12,20H,8-11H2	PDB UniProtKB/SwissProt 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 Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262626 (CHEMBL515936 | Ethanesulfonic acid biphenyl-2-ylme...) Show SMILES CCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C19H24N2O2S/c1-2-24(22,23)21(18-12-13-20-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,20H,2,12-15H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262625 (CHEMBL476312 | N-Biphenyl-2-ylmethyl-N-(S)-pyrroli...) Show SMILES CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C18H22N2O2S/c1-23(21,22)20(17-11-12-19-13-17)14-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-10,17,19H,11-14H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50277145 ((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...) Show SMILES CC(C)(C)Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1 Show InChI InChI=1S/C23H31N5/c1-23(2,3)27-22-24-12-10-20(26-22)18-7-6-13-28(16-18)14-11-17-15-25-21-9-5-4-8-19(17)21/h4-5,8-10,12,15,18,25H,6-7,11,13-14,16H2,1-3H3,(H,24,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	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 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor				Bioorg Med Chem Lett 19: 1159-63 (2009) Article DOI: 10.1016/j.bmcl.2008.12.087 BindingDB Entry DOI: 10.7270/Q29886VW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50309514 (2-(2-fluoro-4-methylphenoxy)-3-(piperidin-4-yl)pyr...) Show SMILES Cc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1 Show InChI InChI=1S/C17H19FN2O/c1-12-4-5-16(15(18)11-12)21-17-14(3-2-8-20-17)13-6-9-19-10-7-13/h2-5,8,11,13,19H,6-7,9-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	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 Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262415 ((S)-N-(biphenyl-2-ylmethyl)-N-(pyrrolidin-3-yl)iso...) Show SMILES CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C21H26N2O/c1-16(2)21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262627 (CHEMBL476313 | Propane-1-sulfonic acid biphenyl-2-...) Show SMILES CCCS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C20H26N2O2S/c1-2-14-25(23,24)22(19-12-13-21-15-19)16-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,19,21H,2,12-16H2,1H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	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 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50309520 (2-(2,6-difluorophenoxy)-3-(piperidin-4-yl)pyridine...) Show SMILES Fc1cccc(F)c1Oc1ncccc1C1CCNCC1 Show InChI InChI=1S/C16H16F2N2O/c17-13-4-1-5-14(18)15(13)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	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 Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50277131 ((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...) Show SMILES CC(Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1)C1CC1 Show InChI InChI=1S/C24H31N5/c1-17(18-8-9-18)27-24-25-12-10-22(28-24)20-5-4-13-29(16-20)14-11-19-15-26-23-7-3-2-6-21(19)23/h2-3,6-7,10,12,15,17-18,20,26H,4-5,8-9,11,13-14,16H2,1H3,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	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 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor				Bioorg Med Chem Lett 19: 1159-63 (2009) Article DOI: 10.1016/j.bmcl.2008.12.087 BindingDB Entry DOI: 10.7270/Q29886VW
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262678 ((S)-ethyl biphenyl-2-ylmethyl(pyrrolidin-3-yl)carb...) Show SMILES CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C20H24N2O2/c1-2-24-20(23)22(18-12-13-21-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,21H,2,12-15H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	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 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262684 (CHEMBL514232 | N-(1,1'-biphenyl-2-ylmethyl)-N',N'-...) Show SMILES CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C19H25N3O2S/c1-21(2)25(23,24)22(18-12-13-20-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,20H,12-15H2,1-2H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8	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 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50309521 (2-(2-fluoro-6-methylphenoxy)-3-(piperidin-4-yl)pyr...) Show SMILES Cc1cccc(F)c1Oc1ncccc1C1CCNCC1 Show InChI InChI=1S/C17H19FN2O/c1-12-4-2-6-15(18)16(12)21-17-14(5-3-9-20-17)13-7-10-19-11-8-13/h2-6,9,13,19H,7-8,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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 Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262679 (CHEMBL478835 | Propane-2-sulfonic acid biphenyl-2-...) Show SMILES CC(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C20H26N2O2S/c1-16(2)25(23,24)22(19-12-13-21-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,21H,12-15H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50277180 (4-(1-(2-(5-chloro-1H-indol-3-yl)ethyl)piperidin-3-...) Show SMILES Clc1ccc2[nH]cc(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c2c1 Show InChI InChI=1S/C22H26ClN5/c23-17-3-6-21-19(12-17)15(13-25-21)8-11-28-10-1-2-16(14-28)20-7-9-24-22(27-20)26-18-4-5-18/h3,6-7,9,12-13,16,18,25H,1-2,4-5,8,10-11,14H2,(H,24,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.4	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 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor				Bioorg Med Chem Lett 19: 1159-63 (2009) Article DOI: 10.1016/j.bmcl.2008.12.087 BindingDB Entry DOI: 10.7270/Q29886VW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50309519 (2-(2-chloro-6-fluorophenoxy)-3-(piperidin-4-yl)pyr...) Show SMILES Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1 Show InChI InChI=1S/C16H16ClFN2O/c17-13-4-1-5-14(18)15(13)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2	PDB UniProtKB/SwissProt 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 Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50277146 ((+)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N...) Show SMILES CCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1 Show InChI InChI=1S/C22H29N5/c1-2-11-23-22-24-12-9-20(26-22)18-6-5-13-27(16-18)14-10-17-15-25-21-8-4-3-7-19(17)21/h3-4,7-9,12,15,18,25H,2,5-6,10-11,13-14,16H2,1H3,(H,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.2	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 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor				Bioorg Med Chem Lett 19: 1159-63 (2009) Article DOI: 10.1016/j.bmcl.2008.12.087 BindingDB Entry DOI: 10.7270/Q29886VW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50277146 ((+)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N...) Show SMILES CCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1 Show InChI InChI=1S/C22H29N5/c1-2-11-23-22-24-12-9-20(26-22)18-6-5-13-27(16-18)14-10-17-15-25-21-8-4-3-7-19(17)21/h3-4,7-9,12,15,18,25H,2,5-6,10-11,13-14,16H2,1H3,(H,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.2	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 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor				Bioorg Med Chem Lett 19: 1159-63 (2009) Article DOI: 10.1016/j.bmcl.2008.12.087 BindingDB Entry DOI: 10.7270/Q29886VW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50309507 (2-(2-fluorophenoxy)-3-(piperidin-4-yl)pyridine | C...) Show SMILES Fc1ccccc1Oc1ncccc1C1CCNCC1 Show InChI InChI=1S/C16H17FN2O/c17-14-5-1-2-6-15(14)20-16-13(4-3-9-19-16)12-7-10-18-11-8-12/h1-6,9,12,18H,7-8,10-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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 Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262729 (Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-carbamic a...) Show SMILES CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C21H26N2O2/c1-16(2)25-21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50001859 ((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents 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 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor				Bioorg Med Chem Lett 19: 1159-63 (2009) Article DOI: 10.1016/j.bmcl.2008.12.087 BindingDB Entry DOI: 10.7270/Q29886VW
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262630 (Biphenyl-2-ylmethyl-(R)-pyrrolidin-3-yl-carbamic a...) Show SMILES CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1 |r| Show InChI InChI=1S/C20H24N2O2/c1-2-24-20(23)22(18-12-13-21-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,21H,2,12-15H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50309508 (2-(2-chlorophenoxy)-3-(piperidin-4-yl)pyridine | C...) Show SMILES Clc1ccccc1Oc1ncccc1C1CCNCC1 Show InChI InChI=1S/C16H17ClN2O/c17-14-5-1-2-6-15(14)20-16-13(4-3-9-19-16)12-7-10-18-11-8-12/h1-6,9,12,18H,7-8,10-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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 Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50309517 (2-(2-chloro-5-fluorophenoxy)-3-(piperidin-4-yl)pyr...) Show SMILES Fc1ccc(Cl)c(Oc2ncccc2C2CCNCC2)c1 Show InChI InChI=1S/C16H16ClFN2O/c17-14-4-3-12(18)10-15(14)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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 Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262677 (Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-carbamic a...) Show SMILES COC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C19H22N2O2/c1-23-19(22)21(17-11-12-20-13-17)14-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-10,17,20H,11-14H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50277130 ((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...) Show SMILES C(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NCC2CC2)n1 Show InChI InChI=1S/C23H29N5/c1-2-6-22-20(5-1)18(15-25-22)10-13-28-12-3-4-19(16-28)21-9-11-24-23(27-21)26-14-17-7-8-17/h1-2,5-6,9,11,15,17,19,25H,3-4,7-8,10,12-14,16H2,(H,24,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.3	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 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor				Bioorg Med Chem Lett 19: 1159-63 (2009) Article DOI: 10.1016/j.bmcl.2008.12.087 BindingDB Entry DOI: 10.7270/Q29886VW
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262733 ((2-Phenoxy-benzyl)-(S)-pyrrolidin-3-yl-carbamic ac...) Show SMILES CCOC(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C20H24N2O3/c1-2-24-20(23)22(17-12-13-21-14-17)15-16-8-6-7-11-19(16)25-18-9-4-3-5-10-18/h3-11,17,21H,2,12-15H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	23	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 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50277147 (CHEMBL473903 | N-cyclopropyl-4-(1-(2-(5-fluoro-1H-...) Show SMILES Fc1ccc2[nH]cc(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c2c1 Show InChI InChI=1S/C22H26FN5/c23-17-3-6-21-19(12-17)15(13-25-21)8-11-28-10-1-2-16(14-28)20-7-9-24-22(27-20)26-18-4-5-18/h3,6-7,9,12-13,16,18,25H,1-2,4-5,8,10-11,14H2,(H,24,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.6	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 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor				Bioorg Med Chem Lett 19: 1159-63 (2009) Article DOI: 10.1016/j.bmcl.2008.12.087 BindingDB Entry DOI: 10.7270/Q29886VW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50309518 (2-(2-fluoro-6-methoxyphenoxy)-3-(piperidin-4-yl)py...) Show SMILES COc1cccc(F)c1Oc1ncccc1C1CCNCC1 Show InChI InChI=1S/C17H19FN2O2/c1-21-15-6-2-5-14(18)16(15)22-17-13(4-3-9-20-17)12-7-10-19-11-8-12/h2-6,9,12,19H,7-8,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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 Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262619 (CHEMBL507723 | N-Biphenyl-2-ylmethyl-N-(S)-pyrroli...) Show SMILES CCCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C21H26N2O/c1-2-8-21(24)23(19-13-14-22-15-19)16-18-11-6-7-12-20(18)17-9-4-3-5-10-17/h3-7,9-12,19,22H,2,8,13-16H2,1H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	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 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50309512 (2-(2,3-dichlorophenoxy)-3-(piperidin-4-yl)pyridine...) Show SMILES Clc1cccc(Oc2ncccc2C2CCNCC2)c1Cl Show InChI InChI=1S/C16H16Cl2N2O/c17-13-4-1-5-14(15(13)18)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	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 Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50277181 (4-(1-(2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl)pip...) Show SMILES Cc1[nH]c2ccc(Cl)cc2c1CCN1CCCC(C1)c1ccnc(NC2CC2)n1 Show InChI InChI=1S/C23H28ClN5/c1-15-19(20-13-17(24)4-7-22(20)26-15)9-12-29-11-2-3-16(14-29)21-8-10-25-23(28-21)27-18-5-6-18/h4,7-8,10,13,16,18,26H,2-3,5-6,9,11-12,14H2,1H3,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.6	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 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor				Bioorg Med Chem Lett 19: 1159-63 (2009) Article DOI: 10.1016/j.bmcl.2008.12.087 BindingDB Entry DOI: 10.7270/Q29886VW
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262624 (CHEMBL477148 | Pyrrolidine-1-carboxylic acid biphe...) Show SMILES O=C(N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1)N1CCCC1 |r| Show InChI InChI=1S/C22H27N3O/c26-22(24-14-6-7-15-24)25(20-12-13-23-16-20)17-19-10-4-5-11-21(19)18-8-2-1-3-9-18/h1-5,8-11,20,23H,6-7,12-17H2/t20-/m0/s1	PDB Reactome pathway 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 and Development Curated by ChEMBL					Assay Description Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50309521 (2-(2-fluoro-6-methylphenoxy)-3-(piperidin-4-yl)pyr...) Show SMILES Cc1cccc(F)c1Oc1ncccc1C1CCNCC1 Show InChI InChI=1S/C17H19FN2O/c1-12-4-2-6-15(18)16(12)21-17-14(5-3-9-20-17)13-7-10-19-11-8-13/h2-6,9,13,19H,7-8,10-11H2,1H3	PDB Reactome pathway 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 and Development Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262631 (CHEMBL478622 | N-Biphenyl-2-ylmethyl-N-(R)-pyrroli...) Show SMILES CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CCNC1 |r| Show InChI InChI=1S/C18H22N2O2S/c1-23(21,22)20(17-11-12-19-13-17)14-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-10,17,19H,11-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	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 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50309516 (2-(2,4-difluorophenoxy)-3-(piperidin-4-yl)pyridine...) Show SMILES Fc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1 Show InChI InChI=1S/C16H16F2N2O/c17-12-3-4-15(14(18)10-12)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	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 Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50309516 (2-(2,4-difluorophenoxy)-3-(piperidin-4-yl)pyridine...) Show SMILES Fc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1 Show InChI InChI=1S/C16H16F2N2O/c17-12-3-4-15(14(18)10-12)21-16-13(2-1-7-20-16)11-5-8-19-9-6-11/h1-4,7,10-11,19H,5-6,8-9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262728 (CHEMBL477782 | N-Biphenyl-2-ylmethyl-N-(S)-pyrroli...) Show SMILES CCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C20H24N2O/c1-2-20(23)22(18-12-13-21-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,21H,2,12-15H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262620 (CHEMBL476941 | N-Biphenyl-2-ylmethyl-3-methyl-N-(S...) Show SMILES CC(C)CC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C22H28N2O/c1-17(2)14-22(25)24(20-12-13-23-15-20)16-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-11,17,20,23H,12-16H2,1-2H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262680 (CHEMBL477571 | N-Biphenyl-2-ylmethyl-C,C,C-trifluo...) Show SMILES FC(F)(F)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C18H19F3N2O2S/c19-18(20,21)26(24,25)23(16-10-11-22-12-16)13-15-8-4-5-9-17(15)14-6-2-1-3-7-14/h1-9,16,22H,10-13H2/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50277144 ((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...) Show SMILES CC1(CC1)Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1 Show InChI InChI=1S/C23H29N5/c1-23(10-11-23)27-22-24-12-8-20(26-22)18-5-4-13-28(16-18)14-9-17-15-25-21-7-3-2-6-19(17)21/h2-3,6-8,12,15,18,25H,4-5,9-11,13-14,16H2,1H3,(H,24,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor				Bioorg Med Chem Lett 19: 1159-63 (2009) Article DOI: 10.1016/j.bmcl.2008.12.087 BindingDB Entry DOI: 10.7270/Q29886VW
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50309505 (4-(2-fluoro-6-(2-fluorophenoxy)phenyl)piperidine |...) Show SMILES Fc1ccccc1Oc1cccc(F)c1C1CCNCC1 Show InChI InChI=1S/C17H17F2NO/c18-13-4-1-2-6-15(13)21-16-7-3-5-14(19)17(16)12-8-10-20-11-9-12/h1-7,12,20H,8-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50309519 (2-(2-chloro-6-fluorophenoxy)-3-(piperidin-4-yl)pyr...) Show SMILES Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1 Show InChI InChI=1S/C16H16ClFN2O/c17-13-4-1-5-14(18)15(13)21-16-12(3-2-8-20-16)11-6-9-19-10-7-11/h1-5,8,11,19H,6-7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	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 Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay				Bioorg Med Chem Lett 20: 1114-7 (2010) Article DOI: 10.1016/j.bmcl.2009.12.023 BindingDB Entry DOI: 10.7270/Q2NS0V17
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM23345 (1-(3,4-dichlorophenyl)-2-{4,6-dimethoxy-12-oxo-11,...) Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Cl)c(Cl)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27| Show InChI InChI=1S/C25H24Cl2N2O5/c1-33-15-10-13-8-9-28-22(21(13)20(12-15)34-2)18-4-3-5-19(24(28)31)29(18)25(32)23(30)14-6-7-16(26)17(27)11-14/h6-7,10-12,18-19,22H,3-5,8-9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	34	-41.2	n/a	n/a	n/a	n/a	n/a	8.0	15
Pfizer					Assay Description PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...				J Med Chem 49: 1202-6 (2006) Article DOI: 10.1021/jm049161u BindingDB Entry DOI: 10.7270/Q2BR8QG9
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50262676 ((S)-N-(2-phenoxybenzyl)-N-(pyrrolidin-3-yl)isobuty...) Show SMILES CC(C)C(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1 |r| Show InChI InChI=1S/C21H26N2O2/c1-16(2)21(24)23(18-12-13-22-14-18)15-17-8-6-7-11-20(17)25-19-9-4-3-5-10-19/h3-11,16,18,22H,12-15H2,1-2H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	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 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA				Bioorg Med Chem Lett 18: 4355-9 (2008) Article DOI: 10.1016/j.bmcl.2008.06.071 BindingDB Entry DOI: 10.7270/Q2GH9HRM
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM23346 (1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...) Show SMILES COc1cc(OC)cc(c1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:12:14:16.17.18:22.35.20| Show InChI InChI=1S/C27H30N2O7/c1-33-17-11-16(12-18(13-17)34-2)25(30)27(32)29-20-6-5-7-21(29)26(31)28-9-8-15-10-19(35-3)14-22(36-4)23(15)24(20)28/h10-14,20-21,24H,5-9H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	34	-41.2	n/a	n/a	n/a	n/a	n/a	8.0	15
Pfizer					Assay Description PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...				J Med Chem 49: 1202-6 (2006) Article DOI: 10.1021/jm049161u BindingDB Entry DOI: 10.7270/Q2BR8QG9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50277182 (CHEMBL475694 | N-cyclopropyl-4-(1-(2-(7-fluoro-1H-...) Show SMILES Fc1cccc2c(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c[nH]c12 Show InChI InChI=1S/C22H26FN5/c23-19-5-1-4-18-15(13-25-21(18)19)9-12-28-11-2-3-16(14-28)20-8-10-24-22(27-20)26-17-6-7-17/h1,4-5,8,10,13,16-17,25H,2-3,6-7,9,11-12,14H2,(H,24,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35.1	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 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor				Bioorg Med Chem Lett 19: 1159-63 (2009) Article DOI: 10.1016/j.bmcl.2008.12.087 BindingDB Entry DOI: 10.7270/Q29886VW
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 314 total )  |  Next  |  Last  >>

Jump to: