Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50007432   

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))	BDBM50063250 (1-(3-Phenyl-propyl)-4-[2-(phenyl-thiophen-2-yl-met...) Show SMILES C(CN1CCC(CCOC(c2cccs2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C27H33NOS/c1-3-9-23(10-4-1)11-7-18-28-19-15-24(16-20-28)17-21-29-27(26-14-8-22-30-26)25-12-5-2-6-13-25/h1-6,8-10,12-14,22,24,27H,7,11,15-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dopamine transporter (DAT) labeled with [3H]-WIN- 35,428 in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50063247 (4-(2-Benzhydryloxy-ethyl)-1-[3-(4-fluoro-phenyl)-p...) Show SMILES Fc1ccc(CCCN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C29H34FNO/c30-28-15-13-24(14-16-28)8-7-20-31-21-17-25(18-22-31)19-23-32-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29H,7-8,17-23H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dopamine transporter (DAT) labeled with [3H]-WIN- 35,428 in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50455435 (CHEMBL2112927) Show SMILES C(CC1CCN(C\C=C\c2cccs2)CC1)OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H31NOS/c1-3-9-24(10-4-1)27(25-11-5-2-6-12-25)29-21-17-23-15-19-28(20-16-23)18-7-13-26-14-8-22-30-26/h1-14,22-23,27H,15-21H2/b13-7+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dopamine transporter (DAT) labeled with [3H]-WIN- 35,428 in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50455436 (CHEMBL2112930) Show SMILES C(CC1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H33NO/c1-4-11-25(12-5-1)13-10-21-30-22-18-26(19-23-30)20-24-31-29(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-17,26,29H,18-24H2/b13-10+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dopamine transporter (DAT) labeled with [3H]-WIN- 35,428 in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50455437 (CHEMBL2112929) Show SMILES Fc1ccc(\C=C\CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C29H32FNO/c30-28-15-13-24(14-16-28)8-7-20-31-21-17-25(18-22-31)19-23-32-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-16,25,29H,17-23H2/b8-7+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dopamine transporter (DAT) labeled with [3H]-WIN- 35,428 in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50063248 (4-{2-[(4-Fluoro-phenyl)-thiophen-2-yl-methoxy]-eth...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1cccs1 Show InChI InChI=1S/C27H32FNOS/c28-25-12-10-24(11-13-25)27(26-9-5-21-31-26)30-20-16-23-14-18-29(19-15-23)17-4-8-22-6-2-1-3-7-22/h1-3,5-7,9-13,21,23,27H,4,8,14-20H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.7	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dopamine transporter (DAT) labeled with [3H]-WIN- 35,428 in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dopamine transporter (DAT) labeled with [3H]-WIN- 35,428 in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50455434 (CHEMBL2112928) Show SMILES Fc1ccc(\C=C\CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C29H30F3NO/c30-26-9-3-22(4-10-26)2-1-18-33-19-15-23(16-20-33)17-21-34-29(24-5-11-27(31)12-6-24)25-7-13-28(32)14-8-25/h1-14,23,29H,15-21H2/b2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dopamine transporter (DAT) labeled with [3H]-WIN- 35,428 in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50063246 (3-{3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-pr...) Show SMILES C(CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1cccnc1 Show InChI InChI=1S/C28H34N2O/c1-3-11-26(12-4-1)28(27-13-5-2-6-14-27)31-22-17-24-15-20-30(21-16-24)19-8-10-25-9-7-18-29-23-25/h1-7,9,11-14,18,23-24,28H,8,10,15-17,19-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	29.9	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dopamine transporter (DAT) labeled with [3H]-WIN- 35,428 in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50118598 (4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-p...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H31F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-15,24,29H,16-22H2/b7-4+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against dopamine transporter (DAT) labeled with [3H]-WIN- 35,428 in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50455434 (CHEMBL2112928) Show SMILES Fc1ccc(\C=C\CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C29H30F3NO/c30-26-9-3-22(4-10-26)2-1-18-33-19-15-23(16-20-33)17-21-34-29(24-5-11-27(31)12-6-24)25-7-13-28(32)14-8-25/h1-14,23,29H,15-21H2/b2-1+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against serotonin transporter (SERT) labeled with [3H]-citalopram in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50063248 (4-{2-[(4-Fluoro-phenyl)-thiophen-2-yl-methoxy]-eth...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1cccs1 Show InChI InChI=1S/C27H32FNOS/c28-25-12-10-24(11-13-25)27(26-9-5-21-31-26)30-20-16-23-14-18-29(19-15-23)17-4-8-22-6-2-1-3-7-22/h1-3,5-7,9-13,21,23,27H,4,8,14-20H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85.7	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against serotonin transporter (SERT) labeled with [3H]-citalopram in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM22165 (1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	86.6	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against serotonin transporter (SERT) labeled with [3H]-citalopram in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50063250 (1-(3-Phenyl-propyl)-4-[2-(phenyl-thiophen-2-yl-met...) Show SMILES C(CN1CCC(CCOC(c2cccs2)c2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C27H33NOS/c1-3-9-23(10-4-1)11-7-18-28-19-15-24(16-20-28)17-21-29-27(26-14-8-22-30-26)25-12-5-2-6-13-25/h1-6,8-10,12-14,22,24,27H,7,11,15-21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against serotonin transporter (SERT) labeled with [3H]-citalopram in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50063246 (3-{3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-pr...) Show SMILES C(CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1cccnc1 Show InChI InChI=1S/C28H34N2O/c1-3-11-26(12-4-1)28(27-13-5-2-6-14-27)31-22-17-24-15-20-30(21-16-24)19-8-10-25-9-7-18-29-23-25/h1-7,9,11-14,18,23-24,28H,8,10,15-17,19-22H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against serotonin transporter (SERT) labeled with [3H]-citalopram in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50455437 (CHEMBL2112929) Show SMILES Fc1ccc(\C=C\CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C29H32FNO/c30-28-15-13-24(14-16-28)8-7-20-31-21-17-25(18-22-31)19-23-32-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-16,25,29H,17-23H2/b8-7+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against serotonin transporter (SERT) labeled with [3H]-citalopram in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50063247 (4-(2-Benzhydryloxy-ethyl)-1-[3-(4-fluoro-phenyl)-p...) Show SMILES Fc1ccc(CCCN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C29H34FNO/c30-28-15-13-24(14-16-28)8-7-20-31-21-17-25(18-22-31)19-23-32-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29H,7-8,17-23H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against serotonin transporter (SERT) labeled with [3H]-citalopram in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50455436 (CHEMBL2112930) Show SMILES C(CC1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H33NO/c1-4-11-25(12-5-1)13-10-21-30-22-18-26(19-23-30)20-24-31-29(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-17,26,29H,18-24H2/b13-10+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	232	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against serotonin transporter (SERT) labeled with [3H]-citalopram in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50118598 (4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-p...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H31F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-15,24,29H,16-22H2/b7-4+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	271	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against serotonin transporter (SERT) labeled with [3H]-citalopram in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50455435 (CHEMBL2112927) Show SMILES C(CC1CCN(C\C=C\c2cccs2)CC1)OC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H31NOS/c1-3-9-24(10-4-1)27(25-11-5-2-6-12-25)29-21-17-23-15-19-28(20-16-23)18-7-13-26-14-8-22-30-26/h1-14,22-23,27H,15-21H2/b13-7+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	291	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description Inhibitory activity against serotonin transporter (SERT) labeled with [3H]-citalopram in rat brain striatal membrane.				J Med Chem 41: 699-705 (1998) Article DOI: 10.1021/jm970595h BindingDB Entry DOI: 10.7270/Q247491Z
					More data for this Ligand-Target Pair