Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50036572   

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 dopamine transporter (Rattus norvegicus (rat))	BDBM50046732 ((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-WN 35,428 binding to dopamine transporter (DAT) in rat striatal tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50061203 ((R)-3-(4-Ethyl-3-iodo-phenyl)-8-aza-bicyclo[3.2.1]...) Show SMILES CCc1ccc(cc1I)C1CC2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12| Show InChI InChI=1S/C17H22INO2/c1-3-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19-12)16(13)17(20)21-2/h4-5,8,12-13,15-16,19H,3,6-7,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]paroxetine binding to serotonin transporter (5-HTT) in rat midbrain tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50035738 ((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-WN 35,428 binding to dopamine transporter (DAT) in rat striatal tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50046732 ((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-nisoxatine binding to norepinephrine transporter (NET) in rat cortical tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50046732 ((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]paroxetine binding to serotonin transporter (5-HTT) in rat midbrain tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50053648 ((R)-3-(4-Ethyl-phenyl)-8-aza-bicyclo[3.2.1]octane-...) Show SMILES CCc1ccc(cc1)C1CC2CCC(N2)C1C(=O)OC |THB:16:15:14:12.11,5:8:14:12.11| Show InChI InChI=1S/C17H23NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h4-7,13-16,18H,3,8-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]paroxetine binding to serotonin transporter (5-HTT) in rat midbrain tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50451132 (CHEMBL2079586 | WIN-35428) Show SMILES [H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2| Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14-,15+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt 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
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-WN 35,428 binding to dopamine transporter (DAT) in rat striatal tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50366564 (CHEMBL1790051 | CHEMBL83729 | WIN-35065-2) Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7| Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-WN 35,428 binding to dopamine transporter (DAT) in rat striatal tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50046736 ((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...) Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-WN 35,428 binding to dopamine transporter (DAT) in rat striatal tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50053655 ((R)-3-(4-Ethyl-phenyl)-8-methyl-8-aza-bicyclo[3.2....) Show SMILES CCc1ccc(cc1)C1CC2CCC(C1C(=O)OC)N2C |TLB:20:19:14.8.9:12.11,THB:15:14:19:12.11,5:8:19:12.11| Show InChI InChI=1S/C18H25NO2/c1-4-12-5-7-13(8-6-12)15-11-14-9-10-16(19(14)2)17(15)18(20)21-3/h5-8,14-17H,4,9-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]paroxetine binding to serotonin transporter (5-HTT) in rat midbrain tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50035738 ((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-nisoxatine binding to norepinephrine transporter (NET) in rat cortical tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50053655 ((R)-3-(4-Ethyl-phenyl)-8-methyl-8-aza-bicyclo[3.2....) Show SMILES CCc1ccc(cc1)C1CC2CCC(C1C(=O)OC)N2C |TLB:20:19:14.8.9:12.11,THB:15:14:19:12.11,5:8:19:12.11| Show InChI InChI=1S/C18H25NO2/c1-4-12-5-7-13(8-6-12)15-11-14-9-10-16(19(14)2)17(15)18(20)21-3/h5-8,14-17H,4,9-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-nisoxatine binding to norepinephrine transporter (NET) in rat cortical tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50046736 ((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...) Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]paroxetine binding to serotonin transporter (5-HTT) in rat midbrain tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50035738 ((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]paroxetine binding to serotonin transporter (5-HTT) in rat midbrain tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50053648 ((R)-3-(4-Ethyl-phenyl)-8-aza-bicyclo[3.2.1]octane-...) Show SMILES CCc1ccc(cc1)C1CC2CCC(N2)C1C(=O)OC |THB:16:15:14:12.11,5:8:14:12.11| Show InChI InChI=1S/C17H23NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h4-7,13-16,18H,3,8-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-WN 35,428 binding to dopamine transporter (DAT) in rat striatal tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50053655 ((R)-3-(4-Ethyl-phenyl)-8-methyl-8-aza-bicyclo[3.2....) Show SMILES CCc1ccc(cc1)C1CC2CCC(C1C(=O)OC)N2C |TLB:20:19:14.8.9:12.11,THB:15:14:19:12.11,5:8:19:12.11| Show InChI InChI=1S/C18H25NO2/c1-4-12-5-7-13(8-6-12)15-11-14-9-10-16(19(14)2)17(15)18(20)21-3/h5-8,14-17H,4,9-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-WN 35,428 binding to dopamine transporter (DAT) in rat striatal tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-WN 35,428 binding to dopamine transporter (DAT) in rat striatal tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50053648 ((R)-3-(4-Ethyl-phenyl)-8-aza-bicyclo[3.2.1]octane-...) Show SMILES CCc1ccc(cc1)C1CC2CCC(N2)C1C(=O)OC |THB:16:15:14:12.11,5:8:14:12.11| Show InChI InChI=1S/C17H23NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h4-7,13-16,18H,3,8-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-nisoxatine binding to norepinephrine transporter (NET) in rat cortical tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50061203 ((R)-3-(4-Ethyl-3-iodo-phenyl)-8-aza-bicyclo[3.2.1]...) Show SMILES CCc1ccc(cc1I)C1CC2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12| Show InChI InChI=1S/C17H22INO2/c1-3-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19-12)16(13)17(20)21-2/h4-5,8,12-13,15-16,19H,3,6-7,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-nisoxatine binding to norepinephrine transporter (NET) in rat cortical tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50061203 ((R)-3-(4-Ethyl-3-iodo-phenyl)-8-aza-bicyclo[3.2.1]...) Show SMILES CCc1ccc(cc1I)C1CC2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12| Show InChI InChI=1S/C17H22INO2/c1-3-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19-12)16(13)17(20)21-2/h4-5,8,12-13,15-16,19H,3,6-7,9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	329	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-WN 35,428 binding to dopamine transporter (DAT) in rat striatal tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50451132 (CHEMBL2079586 | WIN-35428) Show SMILES [H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2| Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	692	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]paroxetine binding to serotonin transporter (5-HTT) in rat midbrain tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50451132 (CHEMBL2079586 | WIN-35428) Show SMILES [H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2| Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	835	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-nisoxatine binding to norepinephrine transporter (NET) in rat cortical tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50366564 (CHEMBL1790051 | CHEMBL83729 | WIN-35065-2) Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7| Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-nisoxatine binding to norepinephrine transporter (NET) in rat cortical tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]paroxetine binding to serotonin transporter (5-HTT) in rat midbrain tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50046736 ((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...) Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-nisoxatine binding to norepinephrine transporter (NET) in rat cortical tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50366564 (CHEMBL1790051 | CHEMBL83729 | WIN-35065-2) Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7| Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]paroxetine binding to serotonin transporter (5-HTT) in rat midbrain tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against radioligand [3H]-nisoxatine binding to norepinephrine transporter (NET) in rat cortical tissue				J Med Chem 40: 3861-4 (1998) Article DOI: 10.1021/jm970492z BindingDB Entry DOI: 10.7270/Q2GX4C7G
					More data for this Ligand-Target Pair