Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50034904   

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
Transporter (Rattus norvegicus)	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Norepinephrine transporter activity was determined by the ability of compound to inhibit the neurotransmitter norepinephrine-NE reuptake system using...				Bioorg Med Chem Lett 7: 2559-2564 (1997) Article DOI: 10.1016/S0960-894X(97)10053-1 BindingDB Entry DOI: 10.7270/Q2M61KQ3
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50290499 (1-(2-Benzhydryloxy-ethyl)-4-((Z)-3-iodo-allyl)-pip...) Show SMILES I\C=C/CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C22H27IN2O/c23-12-7-13-24-14-16-25(17-15-24)18-19-26-22(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,22H,13-19H2/b12-7-	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Norepinephrine transporter activity was determined by the ability of compound to inhibit the neurotransmitter norepinephrine-NE reuptake system using...				Bioorg Med Chem Lett 7: 2559-2564 (1997) Article DOI: 10.1016/S0960-894X(97)10053-1 BindingDB Entry DOI: 10.7270/Q2M61KQ3
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50290502 (CHEMBL83296 | N-{2-[Bis-(4-fluoro-phenyl)-methoxy]...) Show SMILES CN(CCCc1ccccc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C28H34F2N2O/c1-31(18-6-9-23-7-4-3-5-8-23)19-20-32(2)21-22-33-28(24-10-14-26(29)15-11-24)25-12-16-27(30)17-13-25/h3-5,7-8,10-17,28H,6,9,18-22H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Norepinephrine transporter activity was determined by the ability of compound to inhibit the neurotransmitter norepinephrine-NE reuptake system using...				Bioorg Med Chem Lett 7: 2559-2564 (1997) Article DOI: 10.1016/S0960-894X(97)10053-1 BindingDB Entry DOI: 10.7270/Q2M61KQ3
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50290503 (CHEMBL86260 | N-(2-Benzhydryloxy-ethyl)-N'-(3-phen...) Show SMILES C(CNCCCc1ccccc1)CNCCOC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H34N2O/c1-4-12-24(13-5-1)14-10-19-28-20-11-21-29-22-23-30-27(25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-9,12-13,15-18,27-29H,10-11,14,19-23H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Norepinephrine transporter activity was determined by the ability of compound to inhibit the neurotransmitter norepinephrine-NE reuptake system using...				Bioorg Med Chem Lett 7: 2559-2564 (1997) Article DOI: 10.1016/S0960-894X(97)10053-1 BindingDB Entry DOI: 10.7270/Q2M61KQ3
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50290501 (CHEMBL313068 | N-{2-[Bis-(4-fluoro-phenyl)-methoxy...) Show SMILES Fc1ccc(cc1)C(OCCNCCNCCCc1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F2N2O/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)31-20-19-30-18-17-29-16-4-7-21-5-2-1-3-6-21/h1-3,5-6,8-15,26,29-30H,4,7,16-20H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Norepinephrine transporter activity was determined by the ability of compound to inhibit the neurotransmitter norepinephrine-NE reuptake system using...				Bioorg Med Chem Lett 7: 2559-2564 (1997) Article DOI: 10.1016/S0960-894X(97)10053-1 BindingDB Entry DOI: 10.7270/Q2M61KQ3
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50290500 (CHEMBL314666 | N-(2-Benzhydryloxy-ethyl)-N'-(3-phe...) Show SMILES C(CNCCNCCOC(c1ccccc1)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C26H32N2O/c1-4-11-23(12-5-1)13-10-18-27-19-20-28-21-22-29-26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,11-12,14-17,26-28H,10,13,18-22H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Norepinephrine transporter activity was determined by the ability of compound to inhibit the neurotransmitter norepinephrine-NE reuptake system using...				Bioorg Med Chem Lett 7: 2559-2564 (1997) Article DOI: 10.1016/S0960-894X(97)10053-1 BindingDB Entry DOI: 10.7270/Q2M61KQ3
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50290498 (1-(2-Benzhydryloxy-ethyl)-4-((E)-3-iodo-allyl)-pip...) Show SMILES I\C=C\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C22H27IN2O/c23-12-7-13-24-14-16-25(17-15-24)18-19-26-22(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,22H,13-19H2/b12-7+	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Norepinephrine transporter activity was determined by the ability of compound to inhibit the neurotransmitter norepinephrine-NE reuptake system using...				Bioorg Med Chem Lett 7: 2559-2564 (1997) Article DOI: 10.1016/S0960-894X(97)10053-1 BindingDB Entry DOI: 10.7270/Q2M61KQ3
					More data for this Ligand-Target Pair