Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'mauclaire' and Initial = 'l'   

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 (Rattus norvegicus (rat))	BDBM50006774 ((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H20INO2/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	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]- paroxetine from serotonin transporter (5-HTT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50057626 ((2S,8R)-3-(4-Iodo-phenyl)-8-prop-2-ynyl-8-aza-bicy...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2CC#C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C18H20INO2/c1-3-10-20-14-8-9-16(20)17(18(21)22-2)15(11-14)12-4-6-13(19)7-5-12/h1,4-7,14-17H,8-11H2,2H3/t14?,15?,16?,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter (DAT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50057629 ((2S,8R)-8-((E)-But-2-enyl)-3-(4-iodo-phenyl)-8-aza...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2C\C=C\C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C19H24INO2/c1-3-4-11-21-15-9-10-17(21)18(19(22)23-2)16(12-15)13-5-7-14(20)8-6-13/h3-8,15-18H,9-12H2,1-2H3/b4-3+/t15?,16?,17?,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter (DAT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50454897 (CHEMBL2113648) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,TLB:11:10:7.6:18,19:18:7.6:9.10.4,THB:2:4:7.6:18| Show InChI InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15?,16-,17?,18+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter (DAT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50006774 ((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H20INO2/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	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter (DAT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50454899 (CHEMBL2113650) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C\C=C\I |r,TLB:11:10:7.6:19,20:19:7.6:9.10.4,THB:2:4:7.6:19| Show InChI InChI=1S/C18H20Cl2INO2/c1-24-18(23)17-13(11-3-5-14(19)15(20)9-11)10-12-4-6-16(17)22(12)8-2-7-21/h2-3,5,7,9,12-13,16-17H,4,6,8,10H2,1H3/b7-2+/t12?,13-,16?,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter (DAT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50057624 ((2S,8R)-8-((E)-3-Iodo-allyl)-3-(4-iodo-phenyl)-8-a...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2C\C=C\I |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C18H21I2NO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+/t14?,15?,16?,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter (DAT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50057623 ((2S,8R)-8-(2-Bromo-allyl)-3-(4-iodo-phenyl)-8-aza-...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2CC(Br)=C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C18H21BrINO2/c1-11(19)10-21-14-7-8-16(21)17(18(22)23-2)15(9-14)12-3-5-13(20)6-4-12/h3-6,14-17H,1,7-10H2,2H3/t14?,15?,16?,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter (DAT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50454898 (CHEMBL2113649) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2Cc1ccccc1 |r,TLB:19:18:7.6:9.10.4,11:10:7.6:18,THB:2:4:7.6:18| Show InChI InChI=1S/C22H24INO2/c1-26-22(25)21-19(16-7-9-17(23)10-8-16)13-18-11-12-20(21)24(18)14-15-5-3-2-4-6-15/h2-10,18-21H,11-14H2,1H3/t18?,19-,20?,21+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter (DAT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50454899 (CHEMBL2113650) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C\C=C\I |r,TLB:11:10:7.6:19,20:19:7.6:9.10.4,THB:2:4:7.6:19| Show InChI InChI=1S/C18H20Cl2INO2/c1-24-18(23)17-13(11-3-5-14(19)15(20)9-11)10-12-4-6-16(17)22(12)8-2-7-21/h2-3,5,7,9,12-13,16-17H,4,6,8,10H2,1H3/b7-2+/t12?,13-,16?,17+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]- paroxetine from serotonin transporter (5-HTT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057629 ((2S,8R)-8-((E)-But-2-enyl)-3-(4-iodo-phenyl)-8-aza...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2C\C=C\C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C19H24INO2/c1-3-4-11-21-15-9-10-17(21)18(19(22)23-2)16(12-15)13-5-7-14(20)8-6-13/h3-8,15-18H,9-12H2,1-2H3/b4-3+/t15?,16?,17?,18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]- paroxetine from serotonin transporter (5-HTT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50006774 ((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H20INO2/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/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter (NET) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50057622 ((2S,8R)-3-(4-Iodo-phenyl)-8-(2-methyl-benzyl)-8-az...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2Cc1ccccc1C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C23H26INO2/c1-15-5-3-4-6-17(15)14-25-19-11-12-21(25)22(23(26)27-2)20(13-19)16-7-9-18(24)10-8-16/h3-10,19-22H,11-14H2,1-2H3/t19?,20?,21?,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter (DAT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057627 ((2S,8R)-8-((E)-3-Iodo-allyl)-3-phenyl-8-aza-bicycl...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccccc1)N2C\C=C\I |THB:2:4:17:6.7,11:10:17:6.7| Show InChI InChI=1S/C18H22INO2/c1-22-18(21)17-15(13-6-3-2-4-7-13)12-14-8-9-16(17)20(14)11-5-10-19/h2-7,10,14-17H,8-9,11-12H2,1H3/b10-5+/t14?,15?,16?,17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]- paroxetine from serotonin transporter (5-HTT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50454898 (CHEMBL2113649) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2Cc1ccccc1 |r,TLB:19:18:7.6:9.10.4,11:10:7.6:18,THB:2:4:7.6:18| Show InChI InChI=1S/C22H24INO2/c1-26-22(25)21-19(16-7-9-17(23)10-8-16)13-18-11-12-20(21)24(18)14-15-5-3-2-4-6-15/h2-10,18-21H,11-14H2,1H3/t18?,19-,20?,21+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]- paroxetine from serotonin transporter (5-HTT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057626 ((2S,8R)-3-(4-Iodo-phenyl)-8-prop-2-ynyl-8-aza-bicy...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2CC#C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C18H20INO2/c1-3-10-20-14-8-9-16(20)17(18(21)22-2)15(11-14)12-4-6-13(19)7-5-12/h1,4-7,14-17H,8-11H2,2H3/t14?,15?,16?,17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]- paroxetine from serotonin transporter (5-HTT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50057627 ((2S,8R)-8-((E)-3-Iodo-allyl)-3-phenyl-8-aza-bicycl...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccccc1)N2C\C=C\I |THB:2:4:17:6.7,11:10:17:6.7| Show InChI InChI=1S/C18H22INO2/c1-22-18(21)17-15(13-6-3-2-4-7-13)12-14-8-9-16(17)20(14)11-5-10-19/h2-7,10,14-17H,8-9,11-12H2,1H3/b10-5+/t14?,15?,16?,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter (DAT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057623 ((2S,8R)-8-(2-Bromo-allyl)-3-(4-iodo-phenyl)-8-aza-...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2CC(Br)=C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C18H21BrINO2/c1-11(19)10-21-14-7-8-16(21)17(18(22)23-2)15(9-14)12-3-5-13(20)6-4-12/h3-6,14-17H,1,7-10H2,2H3/t14?,15?,16?,17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]- paroxetine from serotonin transporter (5-HTT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057622 ((2S,8R)-3-(4-Iodo-phenyl)-8-(2-methyl-benzyl)-8-az...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2Cc1ccccc1C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C23H26INO2/c1-15-5-3-4-6-17(15)14-25-19-11-12-21(25)22(23(26)27-2)20(13-19)16-7-9-18(24)10-8-16/h3-10,19-22H,11-14H2,1-2H3/t19?,20?,21?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]- paroxetine from serotonin transporter (5-HTT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50057624 ((2S,8R)-8-((E)-3-Iodo-allyl)-3-(4-iodo-phenyl)-8-a...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2C\C=C\I |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C18H21I2NO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+/t14?,15?,16?,17-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter (NET) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057631 ((2S,8R)-8-((E)-3-Iodo-allyl)-3-(4-propyl-phenyl)-8...) Show SMILES CCCc1ccc(cc1)C1CC2CCC([C@H]1C(=O)OC)N2C\C=C\I |THB:16:15:20:13.12,6:9:20:13.12| Show InChI InChI=1S/C21H28INO2/c1-3-5-15-6-8-16(9-7-15)18-14-17-10-11-19(20(18)21(24)25-2)23(17)13-4-12-22/h4,6-9,12,17-20H,3,5,10-11,13-14H2,1-2H3/b12-4+/t17?,18?,19?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]- paroxetine from serotonin transporter (5-HTT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50057629 ((2S,8R)-8-((E)-But-2-enyl)-3-(4-iodo-phenyl)-8-aza...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2C\C=C\C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C19H24INO2/c1-3-4-11-21-15-9-10-17(21)18(19(22)23-2)16(12-15)13-5-7-14(20)8-6-13/h3-8,15-18H,9-12H2,1-2H3/b4-3+/t15?,16?,17?,18-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter (NET) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057621 ((2S,8R)-8-((E)-3-Iodo-allyl)-3-(4-isopropyl-phenyl...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(cc1)C(C)C)N2C\C=C\I |THB:2:4:20:6.7,11:10:20:6.7| Show InChI InChI=1S/C21H28INO2/c1-14(2)15-5-7-16(8-6-15)18-13-17-9-10-19(20(18)21(24)25-3)23(17)12-4-11-22/h4-8,11,14,17-20H,9-10,12-13H2,1-3H3/b11-4+/t17?,18?,19?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]- paroxetine from serotonin transporter (5-HTT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50454899 (CHEMBL2113650) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C\C=C\I |r,TLB:11:10:7.6:19,20:19:7.6:9.10.4,THB:2:4:7.6:19| Show InChI InChI=1S/C18H20Cl2INO2/c1-24-18(23)17-13(11-3-5-14(19)15(20)9-11)10-12-4-6-16(17)22(12)8-2-7-21/h2-3,5,7,9,12-13,16-17H,4,6,8,10H2,1H3/b7-2+/t12?,13-,16?,17+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter (NET) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50057631 ((2S,8R)-8-((E)-3-Iodo-allyl)-3-(4-propyl-phenyl)-8...) Show SMILES CCCc1ccc(cc1)C1CC2CCC([C@H]1C(=O)OC)N2C\C=C\I |THB:16:15:20:13.12,6:9:20:13.12| Show InChI InChI=1S/C21H28INO2/c1-3-5-15-6-8-16(9-7-15)18-14-17-10-11-19(20(18)21(24)25-2)23(17)13-4-12-22/h4,6-9,12,17-20H,3,5,10-11,13-14H2,1-2H3/b12-4+/t17?,18?,19?,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter (DAT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50454897 (CHEMBL2113648) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,TLB:11:10:7.6:18,19:18:7.6:9.10.4,THB:2:4:7.6:18| Show InChI InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15?,16-,17?,18+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]- paroxetine from serotonin transporter (5-HTT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50057621 ((2S,8R)-8-((E)-3-Iodo-allyl)-3-(4-isopropyl-phenyl...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(cc1)C(C)C)N2C\C=C\I |THB:2:4:20:6.7,11:10:20:6.7| Show InChI InChI=1S/C21H28INO2/c1-14(2)15-5-7-16(8-6-15)18-13-17-9-10-19(20(18)21(24)25-3)23(17)12-4-11-22/h4-8,11,14,17-20H,9-10,12-13H2,1-3H3/b11-4+/t17?,18?,19?,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]GBR-12935 from dopamine transporter (DAT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50454898 (CHEMBL2113649) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2Cc1ccccc1 |r,TLB:19:18:7.6:9.10.4,11:10:7.6:18,THB:2:4:7.6:18| Show InChI InChI=1S/C22H24INO2/c1-26-22(25)21-19(16-7-9-17(23)10-8-16)13-18-11-12-20(21)24(18)14-15-5-3-2-4-6-15/h2-10,18-21H,11-14H2,1H3/t18?,19-,20?,21+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter (NET) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50057631 ((2S,8R)-8-((E)-3-Iodo-allyl)-3-(4-propyl-phenyl)-8...) Show SMILES CCCc1ccc(cc1)C1CC2CCC([C@H]1C(=O)OC)N2C\C=C\I |THB:16:15:20:13.12,6:9:20:13.12| Show InChI InChI=1S/C21H28INO2/c1-3-5-15-6-8-16(9-7-15)18-14-17-10-11-19(20(18)21(24)25-2)23(17)13-4-12-22/h4,6-9,12,17-20H,3,5,10-11,13-14H2,1-2H3/b12-4+/t17?,18?,19?,20-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter (NET) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50057624 ((2S,8R)-8-((E)-3-Iodo-allyl)-3-(4-iodo-phenyl)-8-a...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2C\C=C\I |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C18H21I2NO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+/t14?,15?,16?,17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]- paroxetine from serotonin transporter (5-HTT) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50057626 ((2S,8R)-3-(4-Iodo-phenyl)-8-prop-2-ynyl-8-aza-bicy...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2CC#C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C18H20INO2/c1-3-10-20-14-8-9-16(20)17(18(21)22-2)15(11-14)12-4-6-13(19)7-5-12/h1,4-7,14-17H,8-11H2,2H3/t14?,15?,16?,17-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter (NET) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50057627 ((2S,8R)-8-((E)-3-Iodo-allyl)-3-phenyl-8-aza-bicycl...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccccc1)N2C\C=C\I |THB:2:4:17:6.7,11:10:17:6.7| Show InChI InChI=1S/C18H22INO2/c1-22-18(21)17-15(13-6-3-2-4-7-13)12-14-8-9-16(17)20(14)11-5-10-19/h2-7,10,14-17H,8-9,11-12H2,1H3/b10-5+/t14?,15?,16?,17-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter (NET) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50057623 ((2S,8R)-8-(2-Bromo-allyl)-3-(4-iodo-phenyl)-8-aza-...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2CC(Br)=C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C18H21BrINO2/c1-11(19)10-21-14-7-8-16(21)17(18(22)23-2)15(9-14)12-3-5-13(20)6-4-12/h3-6,14-17H,1,7-10H2,2H3/t14?,15?,16?,17-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter (NET) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50057622 ((2S,8R)-3-(4-Iodo-phenyl)-8-(2-methyl-benzyl)-8-az...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2Cc1ccccc1C |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C23H26INO2/c1-15-5-3-4-6-17(15)14-25-19-11-12-21(25)22(23(26)27-2)20(13-19)16-7-9-18(24)10-8-16/h3-10,19-22H,11-14H2,1-2H3/t19?,20?,21?,22-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter (NET) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50454897 (CHEMBL2113648) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,TLB:11:10:7.6:18,19:18:7.6:9.10.4,THB:2:4:7.6:18| Show InChI InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15?,16-,17?,18+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter (NET) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50057621 ((2S,8R)-8-((E)-3-Iodo-allyl)-3-(4-isopropyl-phenyl...) Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc(cc1)C(C)C)N2C\C=C\I |THB:2:4:20:6.7,11:10:20:6.7| Show InChI InChI=1S/C21H28INO2/c1-14(2)15-5-7-16(8-6-15)18-13-17-9-10-19(20(18)21(24)25-3)23(17)12-4-11-22/h4-8,11,14,17-20H,9-10,12-13H2,1-3H3/b11-4+/t17?,18?,19?,20-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter (NET) in rat brain membranes				J Med Chem 40: 1366-72 (1997) Article DOI: 10.1021/jm960795d BindingDB Entry DOI: 10.7270/Q2RB7586
					More data for this Ligand-Target Pair