Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 50045171   

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))	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048175 (CHEMBL3310482) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1 Show InChI InChI=1S/C17H17ClFNO/c18-15-7-6-13(9-16(15)19)17(8-12-10-20-11-12)21-14-4-2-1-3-5-14/h1-7,9,12,17,20H,8,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048178 (CHEMBL3310489) Show SMILES Cc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1 Show InChI InChI=1S/C18H19ClFNO/c1-12-3-2-4-15(7-12)22-18(8-13-10-21-11-13)14-5-6-16(19)17(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048172 (CHEMBL3310485) Show SMILES Fc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-15-5-4-12(7-16(15)20)17(6-11-9-21-10-11)22-14-3-1-2-13(19)8-14/h1-5,7-8,11,17,21H,6,9-10H2	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
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048171 (CHEMBL3310484) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50048178 (CHEMBL3310489) Show SMILES Cc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1 Show InChI InChI=1S/C18H19ClFNO/c1-12-3-2-4-15(7-12)22-18(8-13-10-21-11-13)14-5-6-16(19)17(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048169 (CHEMBL3310483) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1cccc(Cl)c1 Show InChI InChI=1S/C17H16Cl2FNO/c18-13-2-1-3-14(8-13)22-17(6-11-9-21-10-11)12-4-5-15(19)16(20)7-12/h1-5,7-8,11,17,21H,6,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048176 (CHEMBL3310487) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1Cl Show InChI InChI=1S/C17H16Cl2FNO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048179 (CHEMBL3310490) Show SMILES Cc1ccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)cc1 Show InChI InChI=1S/C18H19ClFNO/c1-12-2-5-15(6-3-12)22-18(8-13-10-21-11-13)14-4-7-16(19)17(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048175 (CHEMBL3310482) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1 Show InChI InChI=1S/C17H17ClFNO/c18-15-7-6-13(9-16(15)19)17(8-12-10-20-11-12)21-14-4-2-1-3-5-14/h1-7,9,12,17,20H,8,10-11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048174 (CHEMBL3310486) Show SMILES Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)cc1 Show InChI InChI=1S/C17H16ClF2NO/c18-15-6-1-12(8-16(15)20)17(7-11-9-21-10-11)22-14-4-2-13(19)3-5-14/h1-6,8,11,17,21H,7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048168 (CHEMBL3310478) Show SMILES Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C17H16Cl2FNO/c18-15-6-1-12(8-16(15)19)17(7-11-9-21-10-11)22-14-4-2-13(20)3-5-14/h1-6,8,11,17,21H,7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048135 (CHEMBL3309701) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H16Cl2FNO/c18-13-6-5-12(8-14(13)19)17(7-11-9-21-10-11)22-16-4-2-1-3-15(16)20/h1-6,8,11,17,21H,7,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048172 (CHEMBL3310485) Show SMILES Fc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-15-5-4-12(7-16(15)20)17(6-11-9-21-10-11)22-14-3-1-2-13(19)8-14/h1-5,7-8,11,17,21H,6,9-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM82071 (CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...) Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50048172 (CHEMBL3310485) Show SMILES Fc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-15-5-4-12(7-16(15)20)17(6-11-9-21-10-11)22-14-3-1-2-13(19)8-14/h1-5,7-8,11,17,21H,6,9-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048136 (CHEMBL3309702) Show SMILES Clc1ccc(cc1Cl)C(CC1CNC1)Oc1ccccc1 Show InChI InChI=1S/C17H17Cl2NO/c18-15-7-6-13(9-16(15)19)17(8-12-10-20-11-12)21-14-4-2-1-3-5-14/h1-7,9,12,17,20H,8,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50048177 (CHEMBL3310488) Show SMILES Cc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C18H19ClFNO/c1-12-4-2-3-5-17(12)22-18(8-13-10-21-11-13)14-6-7-15(19)16(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50048176 (CHEMBL3310487) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1Cl Show InChI InChI=1S/C17H16Cl2FNO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50048179 (CHEMBL3310490) Show SMILES Cc1ccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)cc1 Show InChI InChI=1S/C18H19ClFNO/c1-12-2-5-15(6-3-12)22-18(8-13-10-21-11-13)14-4-7-16(19)17(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50048171 (CHEMBL3310484) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50048169 (CHEMBL3310483) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1cccc(Cl)c1 Show InChI InChI=1S/C17H16Cl2FNO/c18-13-2-1-3-14(8-13)22-17(6-11-9-21-10-11)12-4-5-15(19)16(20)7-12/h1-5,7-8,11,17,21H,6,9-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50048175 (CHEMBL3310482) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1 Show InChI InChI=1S/C17H17ClFNO/c18-15-7-6-13(9-16(15)19)17(8-12-10-20-11-12)21-14-4-2-1-3-5-14/h1-7,9,12,17,20H,8,10-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048136 (CHEMBL3309702) Show SMILES Clc1ccc(cc1Cl)C(CC1CNC1)Oc1ccccc1 Show InChI InChI=1S/C17H17Cl2NO/c18-15-7-6-13(9-16(15)19)17(8-12-10-20-11-12)21-14-4-2-1-3-5-14/h1-7,9,12,17,20H,8,10-11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048135 (CHEMBL3309701) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H16Cl2FNO/c18-13-6-5-12(8-14(13)19)17(7-11-9-21-10-11)22-16-4-2-1-3-15(16)20/h1-6,8,11,17,21H,7,9-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50048174 (CHEMBL3310486) Show SMILES Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)cc1 Show InChI InChI=1S/C17H16ClF2NO/c18-15-6-1-12(8-16(15)20)17(7-11-9-21-10-11)22-14-4-2-13(19)3-5-14/h1-6,8,11,17,21H,7,9-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048171 (CHEMBL3310484) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048177 (CHEMBL3310488) Show SMILES Cc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C18H19ClFNO/c1-12-4-2-3-5-17(12)22-18(8-13-10-21-11-13)14-6-7-15(19)16(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50048168 (CHEMBL3310478) Show SMILES Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C17H16Cl2FNO/c18-15-6-1-12(8-16(15)19)17(7-11-9-21-10-11)22-14-4-2-13(20)3-5-14/h1-6,8,11,17,21H,7,9-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50048135 (CHEMBL3309701) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H16Cl2FNO/c18-13-6-5-12(8-14(13)19)17(7-11-9-21-10-11)22-16-4-2-1-3-15(16)20/h1-6,8,11,17,21H,7,9-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048178 (CHEMBL3310489) Show SMILES Cc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1 Show InChI InChI=1S/C18H19ClFNO/c1-12-3-2-4-15(7-12)22-18(8-13-10-21-11-13)14-5-6-16(19)17(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048169 (CHEMBL3310483) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1cccc(Cl)c1 Show InChI InChI=1S/C17H16Cl2FNO/c18-13-2-1-3-14(8-13)22-17(6-11-9-21-10-11)12-4-5-15(19)16(20)7-12/h1-5,7-8,11,17,21H,6,9-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50048136 (CHEMBL3309702) Show SMILES Clc1ccc(cc1Cl)C(CC1CNC1)Oc1ccccc1 Show InChI InChI=1S/C17H17Cl2NO/c18-15-7-6-13(9-16(15)19)17(8-12-10-20-11-12)21-14-4-2-1-3-5-14/h1-7,9,12,17,20H,8,10-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048179 (CHEMBL3310490) Show SMILES Cc1ccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)cc1 Show InChI InChI=1S/C18H19ClFNO/c1-12-2-5-15(6-3-12)22-18(8-13-10-21-11-13)14-4-7-16(19)17(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048168 (CHEMBL3310478) Show SMILES Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C17H16Cl2FNO/c18-15-6-1-12(8-16(15)19)17(7-11-9-21-10-11)22-14-4-2-13(20)3-5-14/h1-6,8,11,17,21H,7,9-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50243895 (1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...) Show SMILES Clc1ccc(cc1Cl)C12CC1CNC2 Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048174 (CHEMBL3310486) Show SMILES Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)cc1 Show InChI InChI=1S/C17H16ClF2NO/c18-15-6-1-12(8-16(15)20)17(7-11-9-21-10-11)22-14-4-2-13(19)3-5-14/h1-6,8,11,17,21H,7,9-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048177 (CHEMBL3310488) Show SMILES Cc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C18H19ClFNO/c1-12-4-2-3-5-17(12)22-18(8-13-10-21-11-13)14-6-7-15(19)16(20)9-14/h2-7,9,13,18,21H,8,10-11H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50048176 (CHEMBL3310487) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1ccccc1Cl Show InChI InChI=1S/C17H16Cl2FNO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50048172 (CHEMBL3310485) Show SMILES Fc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-15-5-4-12(7-16(15)20)17(6-11-9-21-10-11)22-14-3-1-2-13(19)8-14/h1-5,7-8,11,17,21H,6,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2C19 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50048171 (CHEMBL3310484) Show SMILES Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-13-6-5-12(8-15(13)20)17(7-11-9-21-10-11)22-16-4-2-1-3-14(16)19/h1-6,8,11,17,21H,7,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2C19 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50048169 (CHEMBL3310483) Show SMILES Fc1cc(ccc1Cl)C(CC1CNC1)Oc1cccc(Cl)c1 Show InChI InChI=1S/C17H16Cl2FNO/c18-13-2-1-3-14(8-13)22-17(6-11-9-21-10-11)12-4-5-15(19)16(20)7-12/h1-5,7-8,11,17,21H,6,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2C19 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50243895 (1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...) Show SMILES Clc1ccc(cc1Cl)C12CC1CNC2 Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	394	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50048174 (CHEMBL3310486) Show SMILES Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)cc1 Show InChI InChI=1S/C17H16ClF2NO/c18-15-6-1-12(8-16(15)20)17(7-11-9-21-10-11)22-14-4-2-13(19)3-5-14/h1-6,8,11,17,21H,7,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50048172 (CHEMBL3310485) Show SMILES Fc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1 Show InChI InChI=1S/C17H16ClF2NO/c18-15-5-4-12(7-16(15)20)17(6-11-9-21-10-11)22-14-3-1-2-13(19)8-14/h1-5,7-8,11,17,21H,6,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					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	515	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay				Bioorg Med Chem Lett 24: 3234-7 (2014) Article DOI: 10.1016/j.bmcl.2014.06.026 BindingDB Entry DOI: 10.7270/Q2DV1MHH
					More data for this Ligand-Target Pair

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