Compile Data Set for Download or QSAR

Found 146 hits with Last Name = 'jeong' and Initial = 'n'   

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))	BDBM50026734 (CHEMBL3331508) Show SMILES OC(=O)C(F)(F)F.Clc1ccccc1CN(CC1CNC1)c1ccccc1 Show InChI InChI=1S/C17H19ClN2.C2HF3O2/c18-17-9-5-4-6-15(17)13-20(12-14-10-19-11-14)16-7-2-1-3-8-16;3-2(4,5)1(6)7/h1-9,14,19H,10-13H2;(H,6,7)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026734 (CHEMBL3331508) Show SMILES OC(=O)C(F)(F)F.Clc1ccccc1CN(CC1CNC1)c1ccccc1 Show InChI InChI=1S/C17H19ClN2.C2HF3O2/c18-17-9-5-4-6-15(17)13-20(12-14-10-19-11-14)16-7-2-1-3-8-16;3-2(4,5)1(6)7/h1-9,14,19H,10-13H2;(H,6,7)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026735 (CHEMBL3331468) Show SMILES C(N(C1CNC1)C1CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H26N2/c1-2-8-19(9-3-1)22(20-13-21-14-20)15-16-10-11-17-6-4-5-7-18(17)12-16/h4-7,10-12,19-21H,1-3,8-9,13-15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026730 (CHEMBL3331503) Show SMILES Cl.CC(C)N(CC1CNC1)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H20Cl2N2.ClH/c1-10(2)18(9-12-6-17-7-12)8-11-3-4-13(15)14(16)5-11;/h3-5,10,12,17H,6-9H2,1-2H3;1H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026737 (CHEMBL3331485) Show SMILES C(C1CNC1)N(Cc1ccc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C21H22N2/c1-2-8-21(9-3-1)23(16-18-13-22-14-18)15-17-10-11-19-6-4-5-7-20(19)12-17/h1-12,18,22H,13-16H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50026727 (CHEMBL3331469) Show SMILES Cl.C(N(C1CNC1)c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H20N2.ClH/c1-2-8-19(9-3-1)22(20-13-21-14-20)15-16-10-11-17-6-4-5-7-18(17)12-16;/h1-12,20-21H,13-15H2;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 human recombinant CYP2D6 incubated for 5 mins by fluorescence assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					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	10	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026741 (CHEMBL3331501) Show SMILES OC(=O)C(F)(F)F.Cc1cccc(CN(CC2CNC2)c2ccccc2)c1 Show InChI InChI=1S/C18H22N2.C2HF3O2/c1-15-6-5-7-16(10-15)13-20(14-17-11-19-12-17)18-8-3-2-4-9-18;3-2(4,5)1(6)7/h2-10,17,19H,11-14H2,1H3;(H,6,7)	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
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026729 (CHEMBL3331502) Show SMILES OC(=O)C(F)(F)F.Clc1cccc(CN(CC2CNC2)c2ccccc2)c1Cl Show InChI InChI=1S/C17H18Cl2N2.C2HF3O2/c18-16-8-4-5-14(17(16)19)12-21(11-13-9-20-10-13)15-6-2-1-3-7-15;3-2(4,5)1(6)7/h1-8,13,20H,9-12H2;(H,6,7)	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
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026727 (CHEMBL3331469) Show SMILES Cl.C(N(C1CNC1)c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H20N2.ClH/c1-2-8-19(9-3-1)22(20-13-21-14-20)15-16-10-11-17-6-4-5-7-18(17)12-16;/h1-12,20-21H,13-15H2;1H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026738 (CHEMBL3331486) Show SMILES Clc1ccc(CN(CC2CNC2)c2ccccc2)cc1 Show InChI InChI=1S/C17H19ClN2/c18-16-8-6-14(7-9-16)12-20(13-15-10-19-11-15)17-4-2-1-3-5-17/h1-9,15,19H,10-13H2	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
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026729 (CHEMBL3331502) Show SMILES OC(=O)C(F)(F)F.Clc1cccc(CN(CC2CNC2)c2ccccc2)c1Cl Show InChI InChI=1S/C17H18Cl2N2.C2HF3O2/c18-16-8-4-5-14(17(16)19)12-21(11-13-9-20-10-13)15-6-2-1-3-7-15;3-2(4,5)1(6)7/h1-8,13,20H,9-12H2;(H,6,7)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026740 (CHEMBL3331500) Show SMILES OC(=O)C(F)(F)F.Fc1ccc(CN(CC2CNC2)c2ccccc2)cc1 Show InChI InChI=1S/C17H19FN2.C2HF3O2/c18-16-8-6-14(7-9-16)12-20(13-15-10-19-11-15)17-4-2-1-3-5-17;3-2(4,5)1(6)7/h1-9,15,19H,10-13H2;(H,6,7)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50026732 (CHEMBL3331506) Show SMILES Fc1ccccc1N(Cc1ccc(Cl)cc1)C1CNC1 Show InChI InChI=1S/C16H16ClFN2/c17-13-7-5-12(6-8-13)11-20(14-9-19-10-14)16-4-2-1-3-15(16)18/h1-8,14,19H,9-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid 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 human recombinant CYP2D6 incubated for 5 mins by fluorescence assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin 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 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 human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026742 (CHEMBL3331505) Show SMILES C(N(Cc1ccc2ccccc2c1)C1CNC1)c1ccccc1 Show InChI InChI=1S/C21H22N2/c1-2-6-17(7-3-1)15-23(21-13-22-14-21)16-18-10-11-19-8-4-5-9-20(19)12-18/h1-12,21-22H,13-16H2	PDB 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
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026736 (CHEMBL3331479) Show SMILES Cc1ccc(cc1)N(Cc1ccc2ccccc2c1)C1CNC1 Show InChI InChI=1S/C21H22N2/c1-16-6-10-20(11-7-16)23(21-13-22-14-21)15-17-8-9-18-4-2-3-5-19(18)12-17/h2-12,21-22H,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026741 (CHEMBL3331501) Show SMILES OC(=O)C(F)(F)F.Cc1cccc(CN(CC2CNC2)c2ccccc2)c1 Show InChI InChI=1S/C18H22N2.C2HF3O2/c1-15-6-5-7-16(10-15)13-20(14-17-11-19-12-17)18-8-3-2-4-9-18;3-2(4,5)1(6)7/h2-10,17,19H,11-14H2,1H3;(H,6,7)	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
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM20800 (2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...) Show SMILES COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026739 (CHEMBL3331498) Show SMILES Clc1ccc(CN(CC2CNC2)C2CCCC2)cc1Cl Show InChI InChI=1S/C16H22Cl2N2/c17-15-6-5-12(7-16(15)18)10-20(11-13-8-19-9-13)14-3-1-2-4-14/h5-7,13-14,19H,1-4,8-11H2	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
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026738 (CHEMBL3331486) Show SMILES Clc1ccc(CN(CC2CNC2)c2ccccc2)cc1 Show InChI InChI=1S/C17H19ClN2/c18-16-8-6-14(7-9-16)12-20(13-15-10-19-11-15)17-4-2-1-3-5-17/h1-9,15,19H,10-13H2	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
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026740 (CHEMBL3331500) Show SMILES OC(=O)C(F)(F)F.Fc1ccc(CN(CC2CNC2)c2ccccc2)cc1 Show InChI InChI=1S/C17H19FN2.C2HF3O2/c18-16-8-6-14(7-9-16)12-20(13-15-10-19-11-15)17-4-2-1-3-5-17;3-2(4,5)1(6)7/h1-9,15,19H,10-13H2;(H,6,7)	PDB 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 human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50207416 (CHEMBL3891745) Show SMILES COc1c(C)cnc(Cn2cc(Cc3ccccc3)c3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C22H22ClN5O/c1-13-10-25-17(14(2)19(13)29-3)12-28-11-16(9-15-7-5-4-6-8-15)18-20(23)26-22(24)27-21(18)28/h4-8,10-11H,9,12H2,1-3H3,(H2,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB 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 FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026731 (CHEMBL3331504) Show SMILES Clc1ccc(CN(C2CNC2)C2CCCCC2)cc1 Show InChI InChI=1S/C16H23ClN2/c17-14-8-6-13(7-9-14)12-19(16-10-18-11-16)15-4-2-1-3-5-15/h6-9,15-16,18H,1-5,10-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026739 (CHEMBL3331498) Show SMILES Clc1ccc(CN(CC2CNC2)C2CCCC2)cc1Cl Show InChI InChI=1S/C16H22Cl2N2/c17-15-6-5-12(7-16(15)18)10-20(11-13-8-19-9-13)14-3-1-2-4-14/h5-7,13-14,19H,1-4,8-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026730 (CHEMBL3331503) Show SMILES Cl.CC(C)N(CC1CNC1)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H20Cl2N2.ClH/c1-10(2)18(9-12-6-17-7-12)8-11-3-4-13(15)14(16)5-11;/h3-5,10,12,17H,6-9H2,1-2H3;1H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50207419 (CHEMBL3940517) Show SMILES COc1c(C)cnc(Cn2cc(Cc3ccc(Cl)cc3)c3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C22H21Cl2N5O/c1-12-9-26-17(13(2)19(12)30-3)11-29-10-15(8-14-4-6-16(23)7-5-14)18-20(24)27-22(25)28-21(18)29/h4-7,9-10H,8,11H2,1-3H3,(H2,25,27,28)	PDB MMDB NCI pathway 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	48	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50207421 (CHEMBL3910684) Show SMILES COc1c(C)cnc(Cn2cc(Cc3cccc(C)c3)c3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C23H24ClN5O/c1-13-6-5-7-16(8-13)9-17-11-29(22-19(17)21(24)27-23(25)28-22)12-18-15(3)20(30-4)14(2)10-26-18/h5-8,10-11H,9,12H2,1-4H3,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50180302 (8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...) Show SMILES CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12 Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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 FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50008057 (BMS-722782 | CHEBI:64153 | TANESPIMYCIN) Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50207414 (CHEMBL3929614) Show SMILES COc1c(C)cnc(Cn2cc(Cc3ccc(C)cc3)c3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C23H24ClN5O/c1-13-5-7-16(8-6-13)9-17-11-29(22-19(17)21(24)27-23(25)28-22)12-18-15(3)20(30-4)14(2)10-26-18/h5-8,10-11H,9,12H2,1-4H3,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026732 (CHEMBL3331506) Show SMILES Fc1ccccc1N(Cc1ccc(Cl)cc1)C1CNC1 Show InChI InChI=1S/C16H16ClFN2/c17-13-7-5-12(6-8-13)11-20(14-9-19-10-14)16-4-2-1-3-15(16)18/h1-8,14,19H,9-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50026732 (CHEMBL3331506) Show SMILES Fc1ccccc1N(Cc1ccc(Cl)cc1)C1CNC1 Show InChI InChI=1S/C16H16ClFN2/c17-13-7-5-12(6-8-13)11-20(14-9-19-10-14)16-4-2-1-3-15(16)18/h1-8,14,19H,9-11H2	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	70	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19 incubated for 5 mins by fluorescence assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50207418 (CHEMBL3922135) Show SMILES COc1cc(Cc2cn(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c23)ccc1Br Show InChI InChI=1S/C23H23BrClN5O2/c1-12-9-27-17(13(2)20(12)32-4)11-30-10-15(19-21(25)28-23(26)29-22(19)30)7-14-5-6-16(24)18(8-14)31-3/h5-6,8-10H,7,11H2,1-4H3,(H2,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026737 (CHEMBL3331485) Show SMILES C(C1CNC1)N(Cc1ccc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C21H22N2/c1-2-8-21(9-3-1)23(16-18-13-22-14-18)15-17-10-11-19-6-4-5-7-20(19)12-17/h1-12,18,22H,13-16H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50207420 (CHEMBL3901656) Show SMILES COc1ccc(Cc2cn(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c23)cc1 Show InChI InChI=1S/C23H24ClN5O2/c1-13-10-26-18(14(2)20(13)31-4)12-29-11-16(9-15-5-7-17(30-3)8-6-15)19-21(24)27-23(25)28-22(19)29/h5-8,10-11H,9,12H2,1-4H3,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026733 (CHEMBL3331507) Show SMILES Clc1cccc(c1)N(Cc1ccc2ccccc2c1)C1CNC1 Show InChI InChI=1S/C20H19ClN2/c21-18-6-3-7-19(11-18)23(20-12-22-13-20)14-15-8-9-16-4-1-2-5-17(16)10-15/h1-11,20,22H,12-14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026728 (CHEMBL3331484) Show SMILES Clc1ccc(CN(C2CC2)C2CNC2)cc1Cl Show InChI InChI=1S/C13H16Cl2N2/c14-12-4-1-9(5-13(12)15)8-17(10-2-3-10)11-6-16-7-11/h1,4-5,10-11,16H,2-3,6-8H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50026729 (CHEMBL3331502) Show SMILES OC(=O)C(F)(F)F.Clc1cccc(CN(CC2CNC2)c2ccccc2)c1Cl Show InChI InChI=1S/C17H18Cl2N2.C2HF3O2/c18-16-8-4-5-14(17(16)19)12-21(11-13-9-20-10-13)15-6-2-1-3-7-15;3-2(4,5)1(6)7/h1-8,13,20H,9-12H2;(H,6,7)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human DAT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50026734 (CHEMBL3331508) Show SMILES OC(=O)C(F)(F)F.Clc1ccccc1CN(CC1CNC1)c1ccccc1 Show InChI InChI=1S/C17H19ClN2.C2HF3O2/c18-17-9-5-4-6-15(17)13-20(12-14-10-19-11-14)16-7-2-1-3-8-16;3-2(4,5)1(6)7/h1-9,14,19H,10-13H2;(H,6,7)	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 incubated for 5 mins by fluorescence assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026742 (CHEMBL3331505) Show SMILES C(N(Cc1ccc2ccccc2c1)C1CNC1)c1ccccc1 Show InChI InChI=1S/C21H22N2/c1-2-6-17(7-3-1)15-23(21-13-22-14-21)16-18-10-11-19-8-4-5-9-20(19)12-18/h1-12,21-22H,13-16H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50026731 (CHEMBL3331504) Show SMILES Clc1ccc(CN(C2CNC2)C2CCCCC2)cc1 Show InChI InChI=1S/C16H23ClN2/c17-14-8-6-13(7-9-14)12-19(16-10-18-11-16)15-4-2-1-3-5-15/h6-9,15-16,18H,1-5,10-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 incubated for 5 mins by fluorescence assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					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 human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50026739 (CHEMBL3331498) Show SMILES Clc1ccc(CN(CC2CNC2)C2CCCC2)cc1Cl Show InChI InChI=1S/C16H22Cl2N2/c17-15-6-5-12(7-16(15)18)10-20(11-13-8-19-9-13)14-3-1-2-4-14/h5-7,13-14,19H,1-4,8-11H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 human DAT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026732 (CHEMBL3331506) Show SMILES Fc1ccccc1N(Cc1ccc(Cl)cc1)C1CNC1 Show InChI InChI=1S/C16H16ClFN2/c17-13-7-5-12(6-8-13)11-20(14-9-19-10-14)16-4-2-1-3-15(16)18/h1-8,14,19H,9-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50026740 (CHEMBL3331500) Show SMILES OC(=O)C(F)(F)F.Fc1ccc(CN(CC2CNC2)c2ccccc2)cc1 Show InChI InChI=1S/C17H19FN2.C2HF3O2/c18-16-8-6-14(7-9-16)12-20(13-15-10-19-11-15)17-4-2-1-3-5-17;3-2(4,5)1(6)7/h1-9,15,19H,10-13H2;(H,6,7)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human DAT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					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 human DAT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50026728 (CHEMBL3331484) Show SMILES Clc1ccc(CN(C2CC2)C2CNC2)cc1Cl Show InChI InChI=1S/C13H16Cl2N2/c14-12-4-1-9(5-13(12)15)8-17(10-2-3-10)11-6-16-7-11/h1,4-5,10-11,16H,2-3,6-8H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	265	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human DAT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026735 (CHEMBL3331468) Show SMILES C(N(C1CNC1)C1CCCCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H26N2/c1-2-8-19(9-3-1)22(20-13-21-14-20)15-16-10-11-17-6-4-5-7-18(17)12-16/h4-7,10-12,19-21H,1-3,8-9,13-15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay				ACS Med Chem Lett 5: 999-1004 (2014) Article DOI: 10.1021/ml500187a BindingDB Entry DOI: 10.7270/Q2MW2JRD
					More data for this Ligand-Target Pair

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