Compile Data Set for Download or QSAR

Found 76 hits Enz. Inhib. hit(s) with all data for entry = 50019360   

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))	BDBM50203944 ((R)-N-(2,3-dichlorobenzyl)-N-(pyridin-2-ylmethyl)p...) Show SMILES Clc1cccc(CN(Cc2ccccn2)[C@@H]2CCNC2)c1Cl Show InChI InChI=1S/C17H19Cl2N3/c18-16-6-3-4-13(17(16)19)11-22(15-7-9-20-10-15)12-14-5-1-2-8-21-14/h1-6,8,15,20H,7,9-12H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203939 ((S)-N-(2,3-dichlorobenzyl)-N-(pyridin-2-ylmethyl)p...) Show SMILES Clc1cccc(CN(Cc2ccccn2)[C@H]2CCNC2)c1Cl Show InChI InChI=1S/C17H19Cl2N3/c18-16-6-3-4-13(17(16)19)11-22(15-7-9-20-10-15)12-14-5-1-2-8-21-14/h1-6,8,15,20H,7,9-12H2/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203942 ((R)-N-(2,3-dichlorobenzyl)-N-(cyclopropylmethyl)py...) Show SMILES Clc1cccc(CN(CC2CC2)[C@@H]2CCNC2)c1Cl Show InChI InChI=1S/C15H20Cl2N2/c16-14-3-1-2-12(15(14)17)10-19(9-11-4-5-11)13-6-7-18-8-13/h1-3,11,13,18H,4-10H2/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203940 ((S)-N-(2-chloro-3-methylbenzyl)-N-(tetrahydro-2H-p...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1Cl Show InChI InChI=1S/C17H25ClN2O/c1-13-3-2-4-14(17(13)18)12-20(16-5-8-19-11-16)15-6-9-21-10-7-15/h2-4,15-16,19H,5-12H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203948 ((S)-N-(3-chloro-2-methylbenzyl)-N-(tetrahydro-2H-p...) Show SMILES Cc1c(Cl)cccc1CN([C@H]1CCNC1)C1CCOCC1 Show InChI InChI=1S/C17H25ClN2O/c1-13-14(3-2-4-17(13)18)12-20(16-5-8-19-11-16)15-6-9-21-10-7-15/h2-4,15-16,19H,5-12H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203938 ((S)-N-(2,3-dichlorobenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Clc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1Cl |r| Show InChI InChI=1S/C16H22Cl2N2O/c17-15-3-1-2-12(16(15)18)11-20(14-4-7-19-10-14)13-5-8-21-9-6-13/h1-3,13-14,19H,4-11H2/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203939 ((S)-N-(2,3-dichlorobenzyl)-N-(pyridin-2-ylmethyl)p...) Show SMILES Clc1cccc(CN(Cc2ccccn2)[C@H]2CCNC2)c1Cl Show InChI InChI=1S/C17H19Cl2N3/c18-16-6-3-4-13(17(16)19)11-22(15-7-9-20-10-15)12-14-5-1-2-8-21-14/h1-6,8,15,20H,7,9-12H2/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203944 ((R)-N-(2,3-dichlorobenzyl)-N-(pyridin-2-ylmethyl)p...) Show SMILES Clc1cccc(CN(Cc2ccccn2)[C@@H]2CCNC2)c1Cl Show InChI InChI=1S/C17H19Cl2N3/c18-16-6-3-4-13(17(16)19)11-22(15-7-9-20-10-15)12-14-5-1-2-8-21-14/h1-6,8,15,20H,7,9-12H2/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203940 ((S)-N-(2-chloro-3-methylbenzyl)-N-(tetrahydro-2H-p...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1Cl Show InChI InChI=1S/C17H25ClN2O/c1-13-3-2-4-14(17(13)18)12-20(16-5-8-19-11-16)15-6-9-21-10-7-15/h2-4,15-16,19H,5-12H2,1H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203937 ((S)-N-(2,3-dichlorobenzyl)-N-(cyclopropylmethyl)py...) Show SMILES Clc1cccc(CN(CC2CC2)[C@H]2CCNC2)c1Cl Show InChI InChI=1S/C15H20Cl2N2/c16-14-3-1-2-12(15(14)17)10-19(9-11-4-5-11)13-6-7-18-8-13/h1-3,11,13,18H,4-10H2/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					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	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203947 ((2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-...) Show SMILES Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1 Show InChI InChI=1S/C17H26N2O/c1-14-4-2-3-5-15(14)13-19(17-6-9-18-12-17)16-7-10-20-11-8-16/h2-5,16-18H,6-13H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C |r| Show InChI InChI=1S/C18H28N2O/c1-14-4-3-5-16(15(14)2)13-20(18-6-9-19-12-18)17-7-10-21-11-8-17/h3-5,17-19H,6-13H2,1-2H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203932 ((S)-N-(2,3-dimethylbenzyl)-N-(pyridin-2-ylmethyl)p...) Show SMILES Cc1cccc(CN(Cc2ccccn2)[C@H]2CCNC2)c1C Show InChI InChI=1S/C19H25N3/c1-15-6-5-7-17(16(15)2)13-22(19-9-11-20-12-19)14-18-8-3-4-10-21-18/h3-8,10,19-20H,9,11-14H2,1-2H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203946 ((R)-N-(2,3-dimethylbenzyl)-N-(pyridin-2-ylmethyl)p...) Show SMILES Cc1cccc(CN(Cc2ccccn2)[C@@H]2CCNC2)c1C Show InChI InChI=1S/C19H25N3/c1-15-6-5-7-17(16(15)2)13-22(19-9-11-20-12-19)14-18-8-3-4-10-21-18/h3-8,10,19-20H,9,11-14H2,1-2H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203941 ((S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2-tri...) Show SMILES FC(F)(F)c1ccccc1CN([C@H]1CCNC1)C1CCOCC1 Show InChI InChI=1S/C17H23F3N2O/c18-17(19,20)16-4-2-1-3-13(16)12-22(15-5-8-21-11-15)14-6-9-23-10-7-14/h1-4,14-15,21H,5-12H2/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C |r| Show InChI InChI=1S/C18H28N2O/c1-14-4-3-5-16(15(14)2)13-20(18-6-9-19-12-18)17-7-10-21-11-8-17/h3-5,17-19H,6-13H2,1-2H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203937 ((S)-N-(2,3-dichlorobenzyl)-N-(cyclopropylmethyl)py...) Show SMILES Clc1cccc(CN(CC2CC2)[C@H]2CCNC2)c1Cl Show InChI InChI=1S/C15H20Cl2N2/c16-14-3-1-2-12(15(14)17)10-19(9-11-4-5-11)13-6-7-18-8-13/h1-3,11,13,18H,4-10H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203938 ((S)-N-(2,3-dichlorobenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Clc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1Cl |r| Show InChI InChI=1S/C16H22Cl2N2O/c17-15-3-1-2-12(16(15)18)11-20(14-4-7-19-10-14)13-5-8-21-9-6-13/h1-3,13-14,19H,4-11H2/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203936 ((S)-N-(3-methoxy-2-methylbenzyl)-N-(tetrahydro-2H-...) Show SMILES COc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C Show InChI InChI=1S/C18H28N2O2/c1-14-15(4-3-5-18(14)21-2)13-20(17-6-9-19-12-17)16-7-10-22-11-8-16/h3-5,16-17,19H,6-13H2,1-2H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203948 ((S)-N-(3-chloro-2-methylbenzyl)-N-(tetrahydro-2H-p...) Show SMILES Cc1c(Cl)cccc1CN([C@H]1CCNC1)C1CCOCC1 Show InChI InChI=1S/C17H25ClN2O/c1-13-14(3-2-4-17(13)18)12-20(16-5-8-19-11-16)15-6-9-21-10-7-15/h2-4,15-16,19H,5-12H2,1H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203936 ((S)-N-(3-methoxy-2-methylbenzyl)-N-(tetrahydro-2H-...) Show SMILES COc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C Show InChI InChI=1S/C18H28N2O2/c1-14-15(4-3-5-18(14)21-2)13-20(17-6-9-19-12-17)16-7-10-22-11-8-16/h3-5,16-17,19H,6-13H2,1-2H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203943 (CHEMBL245687 | biphenyl-2-ylmethyl-(S)-pyrrolidin-...) Show SMILES C(N([C@H]1CCNC1)C1CCOCC1)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C22H28N2O/c1-2-6-18(7-3-1)22-9-5-4-8-19(22)17-24(21-10-13-23-16-21)20-11-14-25-15-12-20/h1-9,20-21,23H,10-17H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203932 ((S)-N-(2,3-dimethylbenzyl)-N-(pyridin-2-ylmethyl)p...) Show SMILES Cc1cccc(CN(Cc2ccccn2)[C@H]2CCNC2)c1C Show InChI InChI=1S/C19H25N3/c1-15-6-5-7-17(16(15)2)13-22(19-9-11-20-12-19)14-18-8-3-4-10-21-18/h3-8,10,19-20H,9,11-14H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203933 ((S)-N-(3-fluoro-2-(trifluoromethyl)benzyl)-N-(tetr...) Show SMILES Fc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C17H22F4N2O/c18-15-3-1-2-12(16(15)17(19,20)21)11-23(14-4-7-22-10-14)13-5-8-24-9-6-13/h1-3,13-14,22H,4-11H2/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203931 ((S)-N-(2-methyl-3-(trifluoromethyl)benzyl)-N-(tetr...) Show SMILES Cc1c(CN([C@H]2CCNC2)C2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C18H25F3N2O/c1-13-14(3-2-4-17(13)18(19,20)21)12-23(16-5-8-22-11-16)15-6-9-24-10-7-15/h2-4,15-16,22H,5-12H2,1H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203946 ((R)-N-(2,3-dimethylbenzyl)-N-(pyridin-2-ylmethyl)p...) Show SMILES Cc1cccc(CN(Cc2ccccn2)[C@@H]2CCNC2)c1C Show InChI InChI=1S/C19H25N3/c1-15-6-5-7-17(16(15)2)13-22(19-9-11-20-12-19)14-18-8-3-4-10-21-18/h3-8,10,19-20H,9,11-14H2,1-2H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203934 ((S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2,3,4...) Show SMILES Fc1ccc(CN([C@H]2CCNC2)C2CCOCC2)c(F)c1F Show InChI InChI=1S/C16H21F3N2O/c17-14-2-1-11(15(18)16(14)19)10-21(13-3-6-20-9-13)12-4-7-22-8-5-12/h1-2,12-13,20H,3-10H2/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203942 ((R)-N-(2,3-dichlorobenzyl)-N-(cyclopropylmethyl)py...) Show SMILES Clc1cccc(CN(CC2CC2)[C@@H]2CCNC2)c1Cl Show InChI InChI=1S/C15H20Cl2N2/c16-14-3-1-2-12(15(14)17)10-19(9-11-4-5-11)13-6-7-18-8-13/h1-3,11,13,18H,4-10H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203931 ((S)-N-(2-methyl-3-(trifluoromethyl)benzyl)-N-(tetr...) Show SMILES Cc1c(CN([C@H]2CCNC2)C2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C18H25F3N2O/c1-13-14(3-2-4-17(13)18(19,20)21)12-23(16-5-8-22-11-16)15-6-9-24-10-7-15/h2-4,15-16,22H,5-12H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203941 ((S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2-tri...) Show SMILES FC(F)(F)c1ccccc1CN([C@H]1CCNC1)C1CCOCC1 Show InChI InChI=1S/C17H23F3N2O/c18-17(19,20)16-4-2-1-3-13(16)12-22(15-5-8-21-11-15)14-6-9-23-10-7-14/h1-4,14-15,21H,5-12H2/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203933 ((S)-N-(3-fluoro-2-(trifluoromethyl)benzyl)-N-(tetr...) Show SMILES Fc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C(F)(F)F Show InChI InChI=1S/C17H22F4N2O/c18-15-3-1-2-12(16(15)17(19,20)21)11-23(14-4-7-22-10-14)13-5-8-24-9-6-13/h1-3,13-14,22H,4-11H2/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203947 ((2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-...) Show SMILES Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1 Show InChI InChI=1S/C17H26N2O/c1-14-4-2-3-5-15(14)13-19(17-6-9-18-12-17)16-7-10-20-11-8-16/h2-5,16-18H,6-13H2,1H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50203937 ((S)-N-(2,3-dichlorobenzyl)-N-(cyclopropylmethyl)py...) Show SMILES Clc1cccc(CN(CC2CC2)[C@H]2CCNC2)c1Cl Show InChI InChI=1S/C15H20Cl2N2/c16-14-3-1-2-12(15(14)17)10-19(9-11-4-5-11)13-6-7-18-8-13/h1-3,11,13,18H,4-10H2/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203934 ((S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2,3,4...) Show SMILES Fc1ccc(CN([C@H]2CCNC2)C2CCOCC2)c(F)c1F Show InChI InChI=1S/C16H21F3N2O/c17-14-2-1-11(15(18)16(14)19)10-21(13-3-6-20-9-13)12-4-7-22-8-5-12/h1-2,12-13,20H,3-10H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203935 ((R)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@@H]2CCNC2)C2CCOCC2)c1C Show InChI InChI=1S/C18H28N2O/c1-14-4-3-5-16(15(14)2)13-20(18-6-9-19-12-18)17-7-10-21-11-8-17/h3-5,17-19H,6-13H2,1-2H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50203942 ((R)-N-(2,3-dichlorobenzyl)-N-(cyclopropylmethyl)py...) Show SMILES Clc1cccc(CN(CC2CC2)[C@@H]2CCNC2)c1Cl Show InChI InChI=1S/C15H20Cl2N2/c16-14-3-1-2-12(15(14)17)10-19(9-11-4-5-11)13-6-7-18-8-13/h1-3,11,13,18H,4-10H2/t13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50203938 ((S)-N-(2,3-dichlorobenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Clc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1Cl |r| Show InChI InChI=1S/C16H22Cl2N2O/c17-15-3-1-2-12(16(15)18)11-20(14-4-7-19-10-14)13-5-8-21-9-6-13/h1-3,13-14,19H,4-11H2/t14-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50203939 ((S)-N-(2,3-dichlorobenzyl)-N-(pyridin-2-ylmethyl)p...) Show SMILES Clc1cccc(CN(Cc2ccccn2)[C@H]2CCNC2)c1Cl Show InChI InChI=1S/C17H19Cl2N3/c18-16-6-3-4-13(17(16)19)11-22(15-7-9-20-10-15)12-14-5-1-2-8-21-14/h1-6,8,15,20H,7,9-12H2/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50203943 (CHEMBL245687 | biphenyl-2-ylmethyl-(S)-pyrrolidin-...) Show SMILES C(N([C@H]1CCNC1)C1CCOCC1)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C22H28N2O/c1-2-6-18(7-3-1)22-9-5-4-8-19(22)17-24(21-10-13-23-16-21)20-11-14-25-15-12-20/h1-9,20-21,23H,10-17H2/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50203940 ((S)-N-(2-chloro-3-methylbenzyl)-N-(tetrahydro-2H-p...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1Cl Show InChI InChI=1S/C17H25ClN2O/c1-13-3-2-4-14(17(13)18)12-20(16-5-8-19-11-16)15-6-9-21-10-7-15/h2-4,15-16,19H,5-12H2,1H3/t16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50203939 ((S)-N-(2,3-dichlorobenzyl)-N-(pyridin-2-ylmethyl)p...) Show SMILES Clc1cccc(CN(Cc2ccccn2)[C@H]2CCNC2)c1Cl Show InChI InChI=1S/C17H19Cl2N3/c18-16-6-3-4-13(17(16)19)11-22(15-7-9-20-10-15)12-14-5-1-2-8-21-14/h1-6,8,15,20H,7,9-12H2/t15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50203944 ((R)-N-(2,3-dichlorobenzyl)-N-(pyridin-2-ylmethyl)p...) Show SMILES Clc1cccc(CN(Cc2ccccn2)[C@@H]2CCNC2)c1Cl Show InChI InChI=1S/C17H19Cl2N3/c18-16-6-3-4-13(17(16)19)11-22(15-7-9-20-10-15)12-14-5-1-2-8-21-14/h1-6,8,15,20H,7,9-12H2/t15-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50203935 ((R)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@@H]2CCNC2)C2CCOCC2)c1C Show InChI InChI=1S/C18H28N2O/c1-14-4-3-5-16(15(14)2)13-20(18-6-9-19-12-18)17-7-10-21-11-8-17/h3-5,17-19H,6-13H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50203948 ((S)-N-(3-chloro-2-methylbenzyl)-N-(tetrahydro-2H-p...) Show SMILES Cc1c(Cl)cccc1CN([C@H]1CCNC1)C1CCOCC1 Show InChI InChI=1S/C17H25ClN2O/c1-13-14(3-2-4-17(13)18)12-20(16-5-8-19-11-16)15-6-9-21-10-7-15/h2-4,15-16,19H,5-12H2,1H3/t16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	196	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50203937 ((S)-N-(2,3-dichlorobenzyl)-N-(cyclopropylmethyl)py...) Show SMILES Clc1cccc(CN(CC2CC2)[C@H]2CCNC2)c1Cl Show InChI InChI=1S/C15H20Cl2N2/c16-14-3-1-2-12(15(14)17)10-19(9-11-4-5-11)13-6-7-18-8-13/h1-3,11,13,18H,4-10H2/t13-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50203943 (CHEMBL245687 | biphenyl-2-ylmethyl-(S)-pyrrolidin-...) Show SMILES C(N([C@H]1CCNC1)C1CCOCC1)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C22H28N2O/c1-2-6-18(7-3-1)22-9-5-4-8-19(22)17-24(21-10-13-23-16-21)20-11-14-25-15-12-20/h1-9,20-21,23H,10-17H2/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5HT from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50203944 ((R)-N-(2,3-dichlorobenzyl)-N-(pyridin-2-ylmethyl)p...) Show SMILES Clc1cccc(CN(Cc2ccccn2)[C@@H]2CCNC2)c1Cl Show InChI InChI=1S/C17H19Cl2N3/c18-16-6-3-4-13(17(16)19)11-22(15-7-9-20-10-15)12-14-5-1-2-8-21-14/h1-6,8,15,20H,7,9-12H2/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50203945 ((S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-...) Show SMILES Cc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C |r| Show InChI InChI=1S/C18H28N2O/c1-14-4-3-5-16(15(14)2)13-20(18-6-9-19-12-18)17-7-10-21-11-8-17/h3-5,17-19H,6-13H2,1-2H3/t18-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	727	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2022-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.020 BindingDB Entry DOI: 10.7270/Q20R9P2S
					More data for this Ligand-Target Pair

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