Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50016887   

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))	BDBM50174850 (3-(9H-fluoren-2-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1C=C(C2)c1ccc-2c(Cc3ccccc-23)c1 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C21H21N/c1-22-18-7-8-19(22)13-16(12-18)14-6-9-21-17(10-14)11-15-4-2-3-5-20(15)21/h2-6,9-10,12,18-19H,7-8,11,13H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50174847 (3-(1H-indol-3-yl)-8-methyl-8-aza-bicyclo[3.2.1]oct...) Show SMILES CN1C2CCC1C=C(C2)c1c[nH]c2ccccc12 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C16H18N2/c1-18-12-6-7-13(18)9-11(8-12)15-10-17-16-5-3-2-4-14(15)16/h2-5,8,10,12-13,17H,6-7,9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50174848 (3-(9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1CC(O)(C2)C1c2ccccc2-c2ccccc12 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C21H23NO/c1-22-14-10-11-15(22)13-21(23,12-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,14-15,20,23H,10-13H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	543	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50174847 (3-(1H-indol-3-yl)-8-methyl-8-aza-bicyclo[3.2.1]oct...) Show SMILES CN1C2CCC1C=C(C2)c1c[nH]c2ccccc12 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C16H18N2/c1-18-12-6-7-13(18)9-11(8-12)15-10-17-16-5-3-2-4-14(15)16/h2-5,8,10,12-13,17H,6-7,9H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	603	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50174849 (3-(biphenyl-3-yl)-8-methyl-8-azabicyclo[3.2.1]oct-...) Show SMILES CN1C2CCC1C=C(C2)c1cccc(c1)-c1ccccc1 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C20H21N/c1-21-19-10-11-20(21)14-18(13-19)17-9-5-8-16(12-17)15-6-3-2-4-7-15/h2-9,12-13,19-20H,10-11,14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50174843 (3-(9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1C=C(C2)C1c2ccccc2-c2ccccc12 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C21H21N/c1-22-15-10-11-16(22)13-14(12-15)21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,12,15-16,21H,10-11,13H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50174850 (3-(9H-fluoren-2-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1C=C(C2)c1ccc-2c(Cc3ccccc-23)c1 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C21H21N/c1-22-18-7-8-19(22)13-16(12-18)14-6-9-21-17(10-14)11-15-4-2-3-5-20(15)21/h2-6,9-10,12,18-19H,7-8,11,13H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	757	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50174845 (3-(biphenyl-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-...) Show SMILES CN1C2CCC1C=C(C2)c1ccccc1-c1ccccc1 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C20H21N/c1-21-17-11-12-18(21)14-16(13-17)20-10-6-5-9-19(20)15-7-3-2-4-8-15/h2-10,13,17-18H,11-12,14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50174844 (3-biphenyl-2-yl-8-chloromethyl-8-methyl-8-azonia-b...) Show SMILES C[N+]1(CCl)C2CCC1C=C(C2)c1ccccc1-c1ccccc1 |c:9,TLB:0:1:9.10.8:5.6,THB:2:1:9.10.8:5.6,11:9:1:5.6| Show InChI InChI=1S/C21H23ClN/c1-23(15-22)18-11-12-19(23)14-17(13-18)21-10-6-5-9-20(21)16-7-3-2-4-8-16/h2-10,13,18-19H,11-12,14-15H2,1H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human NET				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50174851 (3-biphenyl-2-yl-8-methyl-8-aza-bicyclo[3.2.1]octan...) Show SMILES CN1C2CCC1CC(O)(C2)c1ccccc1-c1ccccc1 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C20H23NO/c1-21-16-11-12-17(21)14-20(22,13-16)19-10-6-5-9-18(19)15-7-3-2-4-8-15/h2-10,16-17,22H,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50174846 (3-(2-bromo-9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo...) Show SMILES CN1C2CCC1CC(O)(C2)C1c2ccccc2-c2ccc(Br)cc12 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C21H22BrNO/c1-23-14-7-8-15(23)12-21(24,11-14)20-18-5-3-2-4-16(18)17-9-6-13(22)10-19(17)20/h2-6,9-10,14-15,20,24H,7-8,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50174850 (3-(9H-fluoren-2-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1C=C(C2)c1ccc-2c(Cc3ccccc-23)c1 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C21H21N/c1-22-18-7-8-19(22)13-16(12-18)14-6-9-21-17(10-14)11-15-4-2-3-5-20(15)21/h2-6,9-10,12,18-19H,7-8,11,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human NET				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50174842 (3-biphenyl-3-yl-8-methyl-8-aza-bicyclo[3.2.1]octan...) Show SMILES CN1C2CCC1CC(O)(C2)c1cccc(c1)-c1ccccc1 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C20H23NO/c1-21-18-10-11-19(21)14-20(22,13-18)17-9-5-8-16(12-17)15-6-3-2-4-7-15/h2-9,12,18-19,22H,10-11,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50174847 (3-(1H-indol-3-yl)-8-methyl-8-aza-bicyclo[3.2.1]oct...) Show SMILES CN1C2CCC1C=C(C2)c1c[nH]c2ccccc12 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C16H18N2/c1-18-12-6-7-13(18)9-11(8-12)15-10-17-16-5-3-2-4-14(15)16/h2-5,8,10,12-13,17H,6-7,9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human NET				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50174851 (3-biphenyl-2-yl-8-methyl-8-aza-bicyclo[3.2.1]octan...) Show SMILES CN1C2CCC1CC(O)(C2)c1ccccc1-c1ccccc1 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C20H23NO/c1-21-16-11-12-17(21)14-20(22,13-16)19-10-6-5-9-18(19)15-7-3-2-4-8-15/h2-10,16-17,22H,11-14H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50174845 (3-(biphenyl-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-...) Show SMILES CN1C2CCC1C=C(C2)c1ccccc1-c1ccccc1 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C20H21N/c1-21-17-11-12-18(21)14-16(13-17)20-10-6-5-9-19(20)15-7-3-2-4-8-15/h2-10,13,17-18H,11-12,14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human NET				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50174849 (3-(biphenyl-3-yl)-8-methyl-8-azabicyclo[3.2.1]oct-...) Show SMILES CN1C2CCC1C=C(C2)c1cccc(c1)-c1ccccc1 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C20H21N/c1-21-19-10-11-20(21)14-18(13-19)17-9-5-8-16(12-17)15-6-3-2-4-7-15/h2-9,12-13,19-20H,10-11,14H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50174845 (3-(biphenyl-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-...) Show SMILES CN1C2CCC1C=C(C2)c1ccccc1-c1ccccc1 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C20H21N/c1-21-17-11-12-18(21)14-16(13-17)20-10-6-5-9-19(20)15-7-3-2-4-8-15/h2-10,13,17-18H,11-12,14H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50174843 (3-(9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1C=C(C2)C1c2ccccc2-c2ccccc12 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C21H21N/c1-22-15-10-11-16(22)13-14(12-15)21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,12,15-16,21H,10-11,13H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50174844 (3-biphenyl-2-yl-8-chloromethyl-8-methyl-8-azonia-b...) Show SMILES C[N+]1(CCl)C2CCC1C=C(C2)c1ccccc1-c1ccccc1 |c:9,TLB:0:1:9.10.8:5.6,THB:2:1:9.10.8:5.6,11:9:1:5.6| Show InChI InChI=1S/C21H23ClN/c1-23(15-22)18-11-12-19(23)14-17(13-18)21-10-6-5-9-20(21)16-7-3-2-4-8-16/h2-10,13,18-19H,11-12,14-15H2,1H3/q+1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50174846 (3-(2-bromo-9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo...) Show SMILES CN1C2CCC1CC(O)(C2)C1c2ccccc2-c2ccc(Br)cc12 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C21H22BrNO/c1-23-14-7-8-15(23)12-21(24,11-14)20-18-5-3-2-4-16(18)17-9-6-13(22)10-19(17)20/h2-6,9-10,14-15,20,24H,7-8,11-12H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50174842 (3-biphenyl-3-yl-8-methyl-8-aza-bicyclo[3.2.1]octan...) Show SMILES CN1C2CCC1CC(O)(C2)c1cccc(c1)-c1ccccc1 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C20H23NO/c1-21-18-10-11-19(21)14-20(22,13-18)17-9-5-8-16(12-17)15-6-3-2-4-7-15/h2-9,12,18-19,22H,10-11,13-14H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50174849 (3-(biphenyl-3-yl)-8-methyl-8-azabicyclo[3.2.1]oct-...) Show SMILES CN1C2CCC1C=C(C2)c1cccc(c1)-c1ccccc1 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C20H21N/c1-21-19-10-11-20(21)14-18(13-19)17-9-5-8-16(12-17)15-6-3-2-4-7-15/h2-9,12-13,19-20H,10-11,14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human NET				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50174848 (3-(9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1CC(O)(C2)C1c2ccccc2-c2ccccc12 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C21H23NO/c1-22-14-10-11-15(22)13-21(23,12-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,14-15,20,23H,10-13H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from human SERT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50174842 (3-biphenyl-3-yl-8-methyl-8-aza-bicyclo[3.2.1]octan...) Show SMILES CN1C2CCC1CC(O)(C2)c1cccc(c1)-c1ccccc1 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C20H23NO/c1-21-18-10-11-19(21)14-20(22,13-18)17-9-5-8-16(12-17)15-6-3-2-4-7-15/h2-9,12,18-19,22H,10-11,13-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human NET				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50174846 (3-(2-bromo-9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo...) Show SMILES CN1C2CCC1CC(O)(C2)C1c2ccccc2-c2ccc(Br)cc12 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C21H22BrNO/c1-23-14-7-8-15(23)12-21(24,11-14)20-18-5-3-2-4-16(18)17-9-6-13(22)10-19(17)20/h2-6,9-10,14-15,20,24H,7-8,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human NET				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50174851 (3-biphenyl-2-yl-8-methyl-8-aza-bicyclo[3.2.1]octan...) Show SMILES CN1C2CCC1CC(O)(C2)c1ccccc1-c1ccccc1 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C20H23NO/c1-21-16-11-12-17(21)14-20(22,13-16)19-10-6-5-9-18(19)15-7-3-2-4-8-15/h2-10,16-17,22H,11-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human NET				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50174844 (3-biphenyl-2-yl-8-chloromethyl-8-methyl-8-azonia-b...) Show SMILES C[N+]1(CCl)C2CCC1C=C(C2)c1ccccc1-c1ccccc1 |c:9,TLB:0:1:9.10.8:5.6,THB:2:1:9.10.8:5.6,11:9:1:5.6| Show InChI InChI=1S/C21H23ClN/c1-23(15-22)18-11-12-19(23)14-17(13-18)21-10-6-5-9-20(21)16-7-3-2-4-8-16/h2-10,13,18-19H,11-12,14-15H2,1H3/q+1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50174843 (3-(9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1C=C(C2)C1c2ccccc2-c2ccccc12 |c:7,THB:9:7:1:3.4| Show InChI InChI=1S/C21H21N/c1-22-15-10-11-16(22)13-14(12-15)21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,12,15-16,21H,10-11,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human NET				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50174848 (3-(9H-fluoren-9-yl)-8-methyl-8-aza-bicyclo[3.2.1]o...) Show SMILES CN1C2CCC1CC(O)(C2)C1c2ccccc2-c2ccccc12 |TLB:0:1:7.9.6:3.4,10:7:1:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C21H23NO/c1-22-14-10-11-15(22)13-21(23,12-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,14-15,20,23H,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human NET				Bioorg Med Chem Lett 15: 5488-93 (2005) Article DOI: 10.1016/j.bmcl.2005.08.082 BindingDB Entry DOI: 10.7270/Q20P0ZJ8
					More data for this Ligand-Target Pair