Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50041742   

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))	BDBM50414600 (CHEMBL570317) Show SMILES N#Cc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C21H22N4/c22-14-16-2-1-3-17(12-16)15-25(19-7-9-23-10-8-19)20-4-5-21-18(13-20)6-11-24-21/h1-6,11-13,19,23-24H,7-10,15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414593 (CHEMBL560535) Show SMILES C(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1 Show InChI InChI=1S/C20H23N3/c1-2-4-16(5-3-1)15-23(18-9-11-21-12-10-18)19-6-7-20-17(14-19)8-13-22-20/h1-8,13-14,18,21-22H,9-12,15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414590 (CHEMBL561598) Show SMILES C(N(C1CCNCC1)c1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C19H22N4/c1-2-4-15(5-3-1)14-23(17-8-10-20-11-9-17)18-6-7-19-16(12-18)13-21-22-19/h1-7,12-13,17,20H,8-11,14H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414583 (CHEMBL564094) Show SMILES Fc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C20H22FN3/c21-17-3-1-2-15(12-17)14-24(18-7-9-22-10-8-18)19-4-5-20-16(13-19)6-11-23-20/h1-6,11-13,18,22-23H,7-10,14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414597 (CHEMBL550870) Show SMILES COc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C21H25N3O/c1-25-20-4-2-3-16(13-20)15-24(18-8-10-22-11-9-18)19-5-6-21-17(14-19)7-12-23-21/h2-7,12-14,18,22-23H,8-11,15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414602 (CHEMBL551818) Show SMILES Fc1ccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)cc1 Show InChI InChI=1S/C20H22FN3/c21-17-3-1-15(2-4-17)14-24(18-8-10-22-11-9-18)19-5-6-20-16(13-19)7-12-23-20/h1-7,12-13,18,22-23H,8-11,14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414599 (CHEMBL564285) Show SMILES N#Cc1ccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)cc1 Show InChI InChI=1S/C21H22N4/c22-14-16-1-3-17(4-2-16)15-25(19-8-10-23-11-9-19)20-5-6-21-18(13-20)7-12-24-21/h1-7,12-13,19,23-24H,8-11,15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414597 (CHEMBL550870) Show SMILES COc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C21H25N3O/c1-25-20-4-2-3-16(13-20)15-24(18-8-10-22-11-9-18)19-5-6-21-17(14-19)7-12-23-21/h2-7,12-14,18,22-23H,8-11,15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414588 (CHEMBL552938) Show SMILES Cn1ccc2cc(ccc12)N(Cc1ccccc1)C1CCNCC1 Show InChI InChI=1S/C21H25N3/c1-23-14-11-18-15-20(7-8-21(18)23)24(19-9-12-22-13-10-19)16-17-5-3-2-4-6-17/h2-8,11,14-15,19,22H,9-10,12-13,16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414601 (CHEMBL550469) Show SMILES N#Cc1ccccc1CN(C1CCNCC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C21H22N4/c22-14-17-3-1-2-4-18(17)15-25(19-8-10-23-11-9-19)20-5-6-21-16(13-20)7-12-24-21/h1-7,12-13,19,23-24H,8-11,15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414584 (CHEMBL557119) Show SMILES Fc1ccccc1CN(C1CCNCC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C20H22FN3/c21-19-4-2-1-3-16(19)14-24(17-8-10-22-11-9-17)18-5-6-20-15(13-18)7-12-23-20/h1-7,12-13,17,22-23H,8-11,14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414601 (CHEMBL550469) Show SMILES N#Cc1ccccc1CN(C1CCNCC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C21H22N4/c22-14-17-3-1-2-4-18(17)15-25(19-8-10-23-11-9-19)20-5-6-21-16(13-20)7-12-24-21/h1-7,12-13,19,23-24H,8-11,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414586 (CHEMBL564288) Show SMILES C(Cc1ccccc1)N(C1CCNCC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C21H25N3/c1-2-4-17(5-3-1)11-15-24(19-9-12-22-13-10-19)20-6-7-21-18(16-20)8-14-23-21/h1-8,14,16,19,22-23H,9-13,15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414592 (CHEMBL560536) Show SMILES C(N(C1CCCNC1)c1ccc2[nH]ccc2c1)c1ccccc1 Show InChI InChI=1S/C20H23N3/c1-2-5-16(6-3-1)15-23(19-7-4-11-21-14-19)18-8-9-20-17(13-18)10-12-22-20/h1-3,5-6,8-10,12-13,19,21-22H,4,7,11,14-15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414598 (CHEMBL552341) Show SMILES NS(=O)(=O)c1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C20H24N4O2S/c21-27(25,26)19-3-1-2-15(12-19)14-24(17-7-9-22-10-8-17)18-4-5-20-16(13-18)6-11-23-20/h1-6,11-13,17,22-23H,7-10,14H2,(H2,21,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414593 (CHEMBL560535) Show SMILES C(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1 Show InChI InChI=1S/C20H23N3/c1-2-4-16(5-3-1)15-23(18-9-11-21-12-10-18)19-6-7-20-17(14-19)8-13-22-20/h1-8,13-14,18,21-22H,9-12,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM84745 (CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414596 (CHEMBL556299) Show SMILES CNCCC(c1ccccc1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C18H20N2/c1-19-11-10-17(14-5-3-2-4-6-14)15-7-8-18-16(13-15)9-12-20-18/h2-9,12-13,17,19-20H,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414600 (CHEMBL570317) Show SMILES N#Cc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C21H22N4/c22-14-16-2-1-3-17(12-16)15-25(19-7-9-23-10-8-19)20-4-5-21-18(13-20)6-11-24-21/h1-6,11-13,19,23-24H,7-10,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414591 (CHEMBL551135) Show SMILES C(N(C1CCNC1)c1ccc2[nH]ccc2c1)c1ccccc1 Show InChI InChI=1S/C19H21N3/c1-2-4-15(5-3-1)14-22(18-9-10-20-13-18)17-6-7-19-16(12-17)8-11-21-19/h1-8,11-12,18,20-21H,9-10,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414583 (CHEMBL564094) Show SMILES Fc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C20H22FN3/c21-17-3-1-2-15(12-17)14-24(18-7-9-22-10-8-18)19-4-5-20-16(13-19)6-11-23-20/h1-6,11-13,18,22-23H,7-10,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414584 (CHEMBL557119) Show SMILES Fc1ccccc1CN(C1CCNCC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C20H22FN3/c21-19-4-2-1-3-16(19)14-24(17-8-10-22-11-9-17)18-5-6-20-15(13-18)7-12-23-20/h1-7,12-13,17,22-23H,8-11,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414589 (CHEMBL556714) Show SMILES C(N(C1CCNCC1)c1ccc2sccc2c1)c1ccccc1 Show InChI InChI=1S/C20H22N2S/c1-2-4-16(5-3-1)15-22(18-8-11-21-12-9-18)19-6-7-20-17(14-19)10-13-23-20/h1-7,10,13-14,18,21H,8-9,11-12,15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414590 (CHEMBL561598) Show SMILES C(N(C1CCNCC1)c1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C19H22N4/c1-2-4-15(5-3-1)14-23(17-8-10-20-11-9-17)18-6-7-19-16(12-18)13-21-22-19/h1-7,12-13,17,20H,8-11,14H2,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414591 (CHEMBL551135) Show SMILES C(N(C1CCNC1)c1ccc2[nH]ccc2c1)c1ccccc1 Show InChI InChI=1S/C19H21N3/c1-2-4-15(5-3-1)14-22(18-9-10-20-13-18)17-6-7-19-16(12-17)8-11-21-19/h1-8,11-12,18,20-21H,9-10,13-14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414587 (CHEMBL555565) Show SMILES O=C(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1 Show InChI InChI=1S/C20H21N3O/c24-20(15-4-2-1-3-5-15)23(17-9-11-21-12-10-17)18-6-7-19-16(14-18)8-13-22-19/h1-8,13-14,17,21-22H,9-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50414598 (CHEMBL552341) Show SMILES NS(=O)(=O)c1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C20H24N4O2S/c21-27(25,26)19-3-1-2-15(12-19)14-24(17-7-9-22-10-8-17)18-4-5-20-16(13-18)6-11-23-20/h1-6,11-13,17,22-23H,7-10,14H2,(H2,21,25,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414588 (CHEMBL552938) Show SMILES Cn1ccc2cc(ccc12)N(Cc1ccccc1)C1CCNCC1 Show InChI InChI=1S/C21H25N3/c1-23-14-11-18-15-20(7-8-21(18)23)24(19-9-12-22-13-10-19)16-17-5-3-2-4-6-17/h2-8,11,14-15,19,22H,9-10,12-13,16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414596 (CHEMBL556299) Show SMILES CNCCC(c1ccccc1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C18H20N2/c1-19-11-10-17(14-5-3-2-4-6-14)15-7-8-18-16(13-15)9-12-20-18/h2-9,12-13,17,19-20H,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50414591 (CHEMBL551135) Show SMILES C(N(C1CCNC1)c1ccc2[nH]ccc2c1)c1ccccc1 Show InChI InChI=1S/C19H21N3/c1-2-4-15(5-3-1)14-22(18-9-10-20-13-18)17-6-7-19-16(12-17)8-11-21-19/h1-8,11-12,18,20-21H,9-10,13-14H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50414600 (CHEMBL570317) Show SMILES N#Cc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C21H22N4/c22-14-16-2-1-3-17(12-16)15-25(19-7-9-23-10-8-19)20-4-5-21-18(13-20)6-11-24-21/h1-6,11-13,19,23-24H,7-10,15H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414585 (CHEMBL571893) Show SMILES C(C1CCOCC1)N(C1CCNCC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C19H27N3O/c1-2-19-16(3-10-21-19)13-18(1)22(17-4-8-20-9-5-17)14-15-6-11-23-12-7-15/h1-3,10,13,15,17,20-21H,4-9,11-12,14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414585 (CHEMBL571893) Show SMILES C(C1CCOCC1)N(C1CCNCC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C19H27N3O/c1-2-19-16(3-10-21-19)13-18(1)22(17-4-8-20-9-5-17)14-15-6-11-23-12-7-15/h1-3,10,13,15,17,20-21H,4-9,11-12,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50414592 (CHEMBL560536) Show SMILES C(N(C1CCCNC1)c1ccc2[nH]ccc2c1)c1ccccc1 Show InChI InChI=1S/C20H23N3/c1-2-5-16(6-3-1)15-23(19-7-4-11-21-14-19)18-8-9-20-17(13-18)10-12-22-20/h1-3,5-6,8-10,12-13,19,21-22H,4,7,11,14-15H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414603 (CHEMBL561599) Show SMILES CC(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1 Show InChI InChI=1S/C21H25N3/c1-16(17-5-3-2-4-6-17)24(19-10-12-22-13-11-19)20-7-8-21-18(15-20)9-14-23-21/h2-9,14-16,19,22-23H,10-13H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414586 (CHEMBL564288) Show SMILES C(Cc1ccccc1)N(C1CCNCC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C21H25N3/c1-2-4-17(5-3-1)11-15-24(19-9-12-22-13-10-19)20-6-7-21-18(16-20)8-14-23-21/h1-8,14,16,19,22-23H,9-13,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50414593 (CHEMBL560535) Show SMILES C(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1 Show InChI InChI=1S/C20H23N3/c1-2-4-16(5-3-1)15-23(18-9-11-21-12-10-18)19-6-7-20-17(14-19)8-13-22-20/h1-8,13-14,18,21-22H,9-12,15H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50414590 (CHEMBL561598) Show SMILES C(N(C1CCNCC1)c1ccc2[nH]ncc2c1)c1ccccc1 Show InChI InChI=1S/C19H22N4/c1-2-4-15(5-3-1)14-23(17-8-10-20-11-9-17)18-6-7-19-16(12-18)13-21-22-19/h1-7,12-13,17,20H,8-11,14H2,(H,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414592 (CHEMBL560536) Show SMILES C(N(C1CCCNC1)c1ccc2[nH]ccc2c1)c1ccccc1 Show InChI InChI=1S/C20H23N3/c1-2-5-16(6-3-1)15-23(19-7-4-11-21-14-19)18-8-9-20-17(13-18)10-12-22-20/h1-3,5-6,8-10,12-13,19,21-22H,4,7,11,14-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50414588 (CHEMBL552938) Show SMILES Cn1ccc2cc(ccc12)N(Cc1ccccc1)C1CCNCC1 Show InChI InChI=1S/C21H25N3/c1-23-14-11-18-15-20(7-8-21(18)23)24(19-9-12-22-13-10-19)16-17-5-3-2-4-6-17/h2-8,11,14-15,19,22H,9-10,12-13,16H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50414597 (CHEMBL550870) Show SMILES COc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C21H25N3O/c1-25-20-4-2-3-16(13-20)15-24(18-8-10-22-11-9-18)19-5-6-21-17(14-19)7-12-23-21/h2-7,12-14,18,22-23H,8-11,15H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414598 (CHEMBL552341) Show SMILES NS(=O)(=O)c1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C20H24N4O2S/c21-27(25,26)19-3-1-2-15(12-19)14-24(17-7-9-22-10-8-17)18-4-5-20-16(13-18)6-11-23-20/h1-6,11-13,17,22-23H,7-10,14H2,(H2,21,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50414583 (CHEMBL564094) Show SMILES Fc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1 Show InChI InChI=1S/C20H22FN3/c21-17-3-1-2-15(12-17)14-24(18-7-9-22-10-8-18)19-4-5-20-16(13-19)6-11-23-20/h1-6,11-13,18,22-23H,7-10,14H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50414584 (CHEMBL557119) Show SMILES Fc1ccccc1CN(C1CCNCC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C20H22FN3/c21-19-4-2-1-3-16(19)14-24(17-8-10-22-11-9-17)18-5-6-20-15(13-18)7-12-23-20/h1-7,12-13,17,22-23H,8-11,14H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50414586 (CHEMBL564288) Show SMILES C(Cc1ccccc1)N(C1CCNCC1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C21H25N3/c1-2-4-17(5-3-1)11-15-24(19-9-12-22-13-10-19)20-6-7-21-18(16-20)8-14-23-21/h1-8,14,16,19,22-23H,9-13,15H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50414596 (CHEMBL556299) Show SMILES CNCCC(c1ccccc1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C18H20N2/c1-19-11-10-17(14-5-3-2-4-6-14)15-7-8-18-16(13-15)9-12-20-18/h2-9,12-13,17,19-20H,10-11H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50414589 (CHEMBL556714) Show SMILES C(N(C1CCNCC1)c1ccc2sccc2c1)c1ccccc1 Show InChI InChI=1S/C20H22N2S/c1-2-4-16(5-3-1)15-22(18-8-11-21-12-9-18)19-6-7-20-17(14-19)10-13-23-20/h1-7,10,13-14,18,21H,8-9,11-12,15H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414589 (CHEMBL556714) Show SMILES C(N(C1CCNCC1)c1ccc2sccc2c1)c1ccccc1 Show InChI InChI=1S/C20H22N2S/c1-2-4-16(5-3-1)15-22(18-8-11-21-12-9-18)19-6-7-20-17(14-19)10-13-23-20/h1-7,10,13-14,18,21H,8-9,11-12,15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414595 (CHEMBL550932) Show SMILES CNCCN(c1ccccc1)c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C17H19N3/c1-18-11-12-20(15-5-3-2-4-6-15)16-7-8-17-14(13-16)9-10-19-17/h2-10,13,18-19H,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 66 total )  |  Next  |  Last  >>

Jump to: