Compile Data Set for Download or QSAR

Found 249 hits with Last Name = 'guo' and Initial = 'n'   

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))	BDBM50164465 (CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50171313 ((3-Ethyl-2-methyl-quinolin-6-yl)-(4-methoxy-cycloh...) Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |wU:15.16,18.23,(20.81,-1.24,;19.47,-.49,;18.14,-1.27,;16.81,-.5,;15.48,-1.27,;14.15,-.5,;12.82,-1.27,;12.82,-2.81,;14.15,-3.58,;15.48,-2.81,;16.81,-3.58,;18.14,-2.81,;19.48,-3.58,;11.48,-.5,;11.48,1.04,;10.02,-1.13,;8.73,-.29,;7.33,-1.17,;7.33,-2.71,;8.69,-3.48,;10.02,-2.69,;6,-3.48,;4.67,-2.71,)| Show InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro affinity for cloned rat metabotropic glutamate 1 receptors stably expressed on CHO cells determined using [3H]-R214127 as radioligand				J Med Chem 48: 5096-9 (2005) Article DOI: 10.1021/jm050263+ BindingDB Entry DOI: 10.7270/Q29S1QJK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50119548 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-fluorom...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CF)cc1N Show InChI InChI=1S/C16H19FN2S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,10-11,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50110577 (2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1N Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50091097 (3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-b...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(cc1N)C#N Show InChI InChI=1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50110788 (2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50164469 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-fluoro-...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(F)cc1N Show InChI InChI=1S/C15H17FN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50164466 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-(2-fluo...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CCF)cc1N Show InChI InChI=1S/C17H21FN2S/c1-20(2)12-14-5-3-4-6-16(14)21-17-8-7-13(9-10-18)11-15(17)19/h3-8,11H,9-10,12,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50164473 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-(3-fluo...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CCCF)cc1N Show InChI InChI=1S/C18H23FN2S/c1-21(2)13-15-7-3-4-8-17(15)22-18-10-9-14(6-5-11-19)12-16(18)20/h3-4,7-10,12H,5-6,11,13,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50164472 (2-(2-Aminomethyl-phenylsulfanyl)-5-methyl-phenylam...) Show SMILES Cc1ccc(Sc2ccccc2CN)c(N)c1 Show InChI InChI=1S/C14H16N2S/c1-10-6-7-14(12(16)8-10)17-13-5-3-2-4-11(13)9-15/h2-8H,9,15-16H2,1H3	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
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50164468 (2-(2-Ethylaminomethyl-phenylsulfanyl)-5-methyl-phe...) Show SMILES CCNCc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H20N2S/c1-3-18-11-13-6-4-5-7-15(13)19-16-9-8-12(2)10-14(16)17/h4-10,18H,3,11,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50164474 (2-{2-[(2-Fluoro-ethylamino)-methyl]-phenylsulfanyl...) Show SMILES Cc1ccc(Sc2ccccc2CNCCF)c(N)c1 Show InChI InChI=1S/C16H19FN2S/c1-12-6-7-16(14(18)10-12)20-15-5-3-2-4-13(15)11-19-9-8-17/h2-7,10,19H,8-9,11,18H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50164464 (2-(2-Allylaminomethyl-phenylsulfanyl)-5-methyl-phe...) Show SMILES Cc1ccc(Sc2ccccc2CNCC=C)c(N)c1 Show InChI InChI=1S/C17H20N2S/c1-3-10-19-12-14-6-4-5-7-16(14)20-17-9-8-13(2)11-15(17)18/h3-9,11,19H,1,10,12,18H2,2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50164469 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-fluoro-...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(F)cc1N Show InChI InChI=1S/C15H17FN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50164467 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-4-fluoro-...) Show SMILES CN(C)Cc1ccccc1Sc1cc(F)c(C)cc1N Show InChI InChI=1S/C16H19FN2S/c1-11-8-14(18)16(9-13(11)17)20-15-7-5-4-6-12(15)10-19(2)3/h4-9H,10,18H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50110788 (2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50164473 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-(3-fluo...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CCCF)cc1N Show InChI InChI=1S/C18H23FN2S/c1-21(2)13-15-7-3-4-8-17(15)22-18-10-9-14(6-5-11-19)12-16(18)20/h3-4,7-10,12H,5-6,11,13,20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	505	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50164470 (2-{2-[(3-Fluoro-propylamino)-methyl]-phenylsulfany...) Show SMILES Cc1ccc(Sc2ccccc2CNCCCF)c(N)c1 Show InChI InChI=1S/C17H21FN2S/c1-13-7-8-17(15(19)11-13)21-16-6-3-2-5-14(16)12-20-10-4-9-18/h2-3,5-8,11,20H,4,9-10,12,19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	518	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50119548 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-fluorom...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CF)cc1N Show InChI InChI=1S/C16H19FN2S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,10-11,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	664	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50164465 (CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	787	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50164466 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-(2-fluo...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CCF)cc1N Show InChI InChI=1S/C17H21FN2S/c1-20(2)12-14-5-3-4-6-16(14)21-17-8-7-13(9-10-18)11-15(17)19/h3-8,11H,9-10,12,19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	946	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50110577 (2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1N Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50164468 (2-(2-Ethylaminomethyl-phenylsulfanyl)-5-methyl-phe...) Show SMILES CCNCc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H20N2S/c1-3-18-11-13-6-4-5-7-15(13)19-16-9-8-12(2)10-14(16)17/h4-10,18H,3,11,17H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50164471 (5-Methyl-2-(2-propylaminomethyl-phenylsulfanyl)-ph...) Show SMILES CCCNCc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C17H22N2S/c1-3-10-19-12-14-6-4-5-7-16(14)20-17-9-8-13(2)11-15(17)18/h4-9,11,19H,3,10,12,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50171313 ((3-Ethyl-2-methyl-quinolin-6-yl)-(4-methoxy-cycloh...) Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |wU:15.16,18.23,(20.81,-1.24,;19.47,-.49,;18.14,-1.27,;16.81,-.5,;15.48,-1.27,;14.15,-.5,;12.82,-1.27,;12.82,-2.81,;14.15,-3.58,;15.48,-2.81,;16.81,-3.58,;18.14,-2.81,;19.48,-3.58,;11.48,-.5,;11.48,1.04,;10.02,-1.13,;8.73,-.29,;7.33,-1.17,;7.33,-2.71,;8.69,-3.48,;10.02,-2.69,;6,-3.48,;4.67,-2.71,)| Show InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro affinity for cloned rat metabotropic glutamate 5 receptors stably expressed on CHO cells determined in radioligand binding assay				J Med Chem 48: 5096-9 (2005) Article DOI: 10.1021/jm050263+ BindingDB Entry DOI: 10.7270/Q29S1QJK
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50164464 (2-(2-Allylaminomethyl-phenylsulfanyl)-5-methyl-phe...) Show SMILES Cc1ccc(Sc2ccccc2CNCC=C)c(N)c1 Show InChI InChI=1S/C17H20N2S/c1-3-10-19-12-14-6-4-5-7-16(14)20-17-9-8-13(2)11-15(17)18/h3-9,11,19H,1,10,12,18H2,2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50164471 (5-Methyl-2-(2-propylaminomethyl-phenylsulfanyl)-ph...) Show SMILES CCCNCc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C17H22N2S/c1-3-10-19-12-14-6-4-5-7-16(14)20-17-9-8-13(2)11-15(17)18/h4-9,11,19H,3,10,12,18H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50164465 (CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50164464 (2-(2-Allylaminomethyl-phenylsulfanyl)-5-methyl-phe...) Show SMILES Cc1ccc(Sc2ccccc2CNCC=C)c(N)c1 Show InChI InChI=1S/C17H20N2S/c1-3-10-19-12-14-6-4-5-7-16(14)20-17-9-8-13(2)11-15(17)18/h3-9,11,19H,1,10,12,18H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50164474 (2-{2-[(2-Fluoro-ethylamino)-methyl]-phenylsulfanyl...) Show SMILES Cc1ccc(Sc2ccccc2CNCCF)c(N)c1 Show InChI InChI=1S/C16H19FN2S/c1-12-6-7-16(14(18)10-12)20-15-5-3-2-4-13(15)11-19-9-8-17/h2-7,10,19H,8-9,11,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50164470 (2-{2-[(3-Fluoro-propylamino)-methyl]-phenylsulfany...) Show SMILES Cc1ccc(Sc2ccccc2CNCCCF)c(N)c1 Show InChI InChI=1S/C17H21FN2S/c1-13-7-8-17(15(19)11-13)21-16-6-3-2-5-14(16)12-20-10-4-9-18/h2-3,5-8,11,20H,4,9-10,12,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50164474 (2-{2-[(2-Fluoro-ethylamino)-methyl]-phenylsulfanyl...) Show SMILES Cc1ccc(Sc2ccccc2CNCCF)c(N)c1 Show InChI InChI=1S/C16H19FN2S/c1-12-6-7-16(14(18)10-12)20-15-5-3-2-4-13(15)11-19-9-8-17/h2-7,10,19H,8-9,11,18H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50164472 (2-(2-Aminomethyl-phenylsulfanyl)-5-methyl-phenylam...) Show SMILES Cc1ccc(Sc2ccccc2CN)c(N)c1 Show InChI InChI=1S/C14H16N2S/c1-10-6-7-14(12(16)8-10)17-13-5-3-2-4-11(13)9-15/h2-8H,9,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50091097 (3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-b...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(cc1N)C#N Show InChI InChI=1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50164472 (2-(2-Aminomethyl-phenylsulfanyl)-5-methyl-phenylam...) Show SMILES Cc1ccc(Sc2ccccc2CN)c(N)c1 Show InChI InChI=1S/C14H16N2S/c1-10-6-7-14(12(16)8-10)17-13-5-3-2-4-11(13)9-15/h2-8H,9,15-16H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50164467 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-4-fluoro-...) Show SMILES CN(C)Cc1ccccc1Sc1cc(F)c(C)cc1N Show InChI InChI=1S/C16H19FN2S/c1-11-8-14(18)16(9-13(11)17)20-15-7-5-4-6-12(15)10-19(2)3/h4-9H,10,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50164468 (2-(2-Ethylaminomethyl-phenylsulfanyl)-5-methyl-phe...) Show SMILES CCNCc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H20N2S/c1-3-18-11-13-6-4-5-7-15(13)19-16-9-8-12(2)10-14(16)17/h4-10,18H,3,11,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50164466 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-(2-fluo...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CCF)cc1N Show InChI InChI=1S/C17H21FN2S/c1-20(2)12-14-5-3-4-6-16(14)21-17-8-7-13(9-10-18)11-15(17)19/h3-8,11H,9-10,12,19H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50091097 (3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-b...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(cc1N)C#N Show InChI InChI=1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50110577 (2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1N Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50164470 (2-{2-[(3-Fluoro-propylamino)-methyl]-phenylsulfany...) Show SMILES Cc1ccc(Sc2ccccc2CNCCCF)c(N)c1 Show InChI InChI=1S/C17H21FN2S/c1-13-7-8-17(15(19)11-13)21-16-6-3-2-5-14(16)12-20-10-4-9-18/h2-3,5-8,11,20H,4,9-10,12,19H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50119548 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-fluorom...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CF)cc1N Show InChI InChI=1S/C16H19FN2S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,10-11,18H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50164473 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-(3-fluo...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CCCF)cc1N Show InChI InChI=1S/C18H23FN2S/c1-21(2)13-15-7-3-4-8-17(15)22-18-10-9-14(6-5-11-19)12-16(18)20/h3-4,7-10,12H,5-6,11,13,20H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50164469 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-fluoro-...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(F)cc1N Show InChI InChI=1S/C15H17FN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50110788 (2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50164471 (5-Methyl-2-(2-propylaminomethyl-phenylsulfanyl)-ph...) Show SMILES CCCNCc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C17H22N2S/c1-3-10-19-12-14-6-4-5-7-16(14)20-17-9-8-13(2)11-15(17)18/h4-9,11,19H,3,10,12,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50164467 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-4-fluoro-...) Show SMILES CN(C)Cc1ccccc1Sc1cc(F)c(C)cc1N Show InChI InChI=1S/C16H19FN2S/c1-11-8-14(18)16(9-13(11)17)20-15-7-5-4-6-12(15)10-19(2)3/h4-9H,10,18H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50276697 (CHEMBL4169012) Show SMILES Fc1cc(Cc2n[nH]c(=O)c3ccccc23)cc(C(=O)N2CCN(CC2)c2ccccc2C#N)c1F Show InChI InChI=1S/C27H21F2N5O2/c28-22-14-17(15-23-19-6-2-3-7-20(19)26(35)32-31-23)13-21(25(22)29)27(36)34-11-9-33(10-12-34)24-8-4-1-5-18(24)16-30/h1-8,13-14H,9-12,15H2,(H,32,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) by ELISA				Eur J Med Chem 138: 514-531 (2017) Article DOI: 10.1016/j.ejmech.2017.06.053 BindingDB Entry DOI: 10.7270/Q2HT2RVM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50276669 (CHEMBL4170665) Show SMILES Fc1cc(Cc2n[nH]c(=O)c3ccccc23)cc(C(=O)N2CCN(CC2)c2ccccn2)c1F Show InChI InChI=1S/C25H21F2N5O2/c26-20-14-16(15-21-17-5-1-2-6-18(17)24(33)30-29-21)13-19(23(20)27)25(34)32-11-9-31(10-12-32)22-7-3-4-8-28-22/h1-8,13-14H,9-12,15H2,(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) by ELISA				Eur J Med Chem 138: 514-531 (2017) Article DOI: 10.1016/j.ejmech.2017.06.053 BindingDB Entry DOI: 10.7270/Q2HT2RVM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50276721 (CHEMBL4161087) Show SMILES Cc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)cc(F)c1F Show InChI InChI=1S/C27H24F2N4O2/c1-17-6-8-19(9-7-17)32-10-12-33(13-11-32)27(35)22-14-18(15-23(28)25(22)29)16-24-20-4-2-3-5-21(20)26(34)31-30-24/h2-9,14-15H,10-13,16H2,1H3,(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) by ELISA				Eur J Med Chem 138: 514-531 (2017) Article DOI: 10.1016/j.ejmech.2017.06.053 BindingDB Entry DOI: 10.7270/Q2HT2RVM
					More data for this Ligand-Target Pair

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