Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50019962   

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))	BDBM50209166 (3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole-5-c...) Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |w:3.2,c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209168 ((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...) Show SMILES CN(C)[C@@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209172 ((S)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...) Show SMILES CN(C)[C@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209168 ((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...) Show SMILES CN(C)[C@@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209175 (CHEMBL396537 | N,N-dimethyl-4-(5-nitro-1H-indol-3-...) Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)[N+]([O-])=O |w:3.2,c:6| Show InChI InChI=1S/C16H19N3O2/c1-18(2)12-5-3-11(4-6-12)15-10-17-16-8-7-13(19(20)21)9-14(15)16/h3,7-10,12,17H,4-6H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209172 ((S)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...) Show SMILES CN(C)[C@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209166 (3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole-5-c...) Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |w:3.2,c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209176 (4-(1H-indol-3-yl)-N,N-dimethylcyclohex-3-enamine |...) Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccccc12 |w:3.2,c:6| Show InChI InChI=1S/C16H20N2/c1-18(2)13-9-7-12(8-10-13)15-11-17-16-6-4-3-5-14(15)16/h3-7,11,13,17H,8-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209171 (4-(5-bromo-1H-indol-3-yl)-N,N-dimethylcyclohex-3-e...) Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(Br)cc12 |w:3.2,c:6| Show InChI InChI=1S/C16H19BrN2/c1-19(2)13-6-3-11(4-7-13)15-10-18-16-8-5-12(17)9-14(15)16/h3,5,8-10,13,18H,4,6-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209165 (4-(5-fluoro-1H-indol-3-yl)-N,N-dimethylcyclohex-3-...) Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |w:3.2,c:6| Show InChI InChI=1S/C16H19FN2/c1-19(2)13-6-3-11(4-7-13)15-10-18-16-8-5-12(17)9-14(15)16/h3,5,8-10,13,18H,4,6-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209177 (3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:4| Show InChI InChI=1S/C15H15N3/c1-18-6-4-12(5-7-18)14-10-17-15-3-2-11(9-16)8-13(14)15/h2-4,8,10,17H,5-7H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209170 (4-(5-chloro-1H-indol-3-yl)-N,N-dimethylcyclohex-3-...) Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |w:3.2,c:6| Show InChI InChI=1S/C16H19ClN2/c1-19(2)13-6-3-11(4-7-13)15-10-18-16-8-5-12(17)9-14(15)16/h3,5,8-10,13,18H,4,6-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50209172 ((S)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...) Show SMILES CN(C)[C@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209179 (3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-5-nit...) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)[N+]([O-])=O |c:4| Show InChI InChI=1S/C14H15N3O2/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17(18)19)8-12(13)14/h2-4,8-9,15H,5-7H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50209166 (3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole-5-c...) Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |w:3.2,c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50209172 ((S)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...) Show SMILES CN(C)[C@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50209166 (3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole-5-c...) Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |w:3.2,c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209164 (4-(5-methoxy-1H-indol-3-yl)-N,N-dimethylcyclohex-3...) Show SMILES COc1ccc2[nH]cc(C3=CCC(CC3)N(C)C)c2c1 |w:12.15,t:9| Show InChI InChI=1S/C17H22N2O/c1-19(2)13-6-4-12(5-7-13)16-11-18-17-9-8-14(20-3)10-15(16)17/h4,8-11,13,18H,5-7H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209163 (5-Fluoro-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:4| Show InChI InChI=1S/C14H15FN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209178 (5-Bromo-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-y...) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(Br)cc12 |c:4| Show InChI InChI=1S/C14H15BrN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209174 (5-Chloro-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:4| Show InChI InChI=1S/C14H15ClN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50209168 ((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...) Show SMILES CN(C)[C@@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50209168 ((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...) Show SMILES CN(C)[C@@H]1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6| Show InChI InChI=1S/C17H19N3/c1-20(2)14-6-4-13(5-7-14)16-11-19-17-8-3-12(10-18)9-15(16)17/h3-4,8-9,11,14,19H,5-7H2,1-2H3/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM31034 (3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole...) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4| Show InChI InChI=1S/C14H16N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-6,10,15H,7-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209169 (5-Methoxy-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4...) Show SMILES COc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:9| Show InChI InChI=1S/C15H18N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209167 (CHEMBL234291 | N,N-dimethyl-4-(5-methyl-1H-indol-3...) Show SMILES CN(C)C1CCC(=CC1)c1c[nH]c2ccc(C)cc12 |w:3.2,c:6| Show InChI InChI=1S/C17H22N2/c1-12-4-9-17-15(10-12)16(11-18-17)13-5-7-14(8-6-13)19(2)3/h4-5,9-11,14,18H,6-8H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50209173 (5-Methyl-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(C)cc12 |c:4| Show InChI InChI=1S/C15H18N2/c1-11-3-4-15-13(9-11)14(10-16-15)12-5-7-17(2)8-6-12/h3-5,9-10,16H,6-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3099-104 (2007) Article DOI: 10.1016/j.bmcl.2007.03.040 BindingDB Entry DOI: 10.7270/Q2QN66F8
					More data for this Ligand-Target Pair