Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'tupper' and Initial = 'de'   

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))	BDBM50132686 (CHEMBL326466 | Dimethyl-((2S,3S)-3-naphthalen-2-yl...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132687 (CHEMBL324269 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C20H24FN/c1-22(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(21)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132685 (CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...) Show SMILES CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132679 (CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132678 (CHEMBL432022 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C19H22FN/c1-21-11-18-14-3-5-16(9-14)19(18)15-4-2-13-10-17(20)7-6-12(13)8-15/h2,4,6-8,10,14,16,18-19,21H,3,5,9,11H2,1H3/t14?,16?,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132684 (CHEMBL331799 | Methyl-(3-naphthalen-2-yl-bicyclo[2...) Show SMILES CNCC1C2CCC(C2)C1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132677 (CHEMBL109517 | Dimethyl-((2R,3R)-3-naphthalen-2-yl...) Show SMILES CN(C)C[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50289291 (2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8| Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against histamine H1 neuronal receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132683 (6-((2S,3S)-3-Dimethylaminomethyl-bicyclo[2.2.1]hep...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20,22H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against histamine H1 neuronal receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50026952 ((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...) Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-NE re-uptake into synaptosome				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against neuronal Dopamine receptor D2				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50289291 (2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8| Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against Alpha-1 adrenergic receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132680 (CHEMBL322348 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21-12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22-2)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-21H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against Alpha-1 adrenergic receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50289291 (2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8| Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132685 (CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...) Show SMILES CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against neuronal Dopamine receptor D2				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50289291 (2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8| Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against neuronal Dopamine receptor D2				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against histamine H1 neuronal receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132686 (CHEMBL326466 | Dimethyl-((2S,3S)-3-naphthalen-2-yl...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132681 (CHEMBL323678 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...) Show SMILES COc1ccc2cc(ccc2c1)[C@H]1C2CCC(C2)[C@@H]1CN(C)C Show InChI InChI=1S/C21H27NO/c1-22(2)13-20-16-5-7-18(11-16)21(20)17-6-4-15-12-19(23-3)9-8-14(15)10-17/h4,6,8-10,12,16,18,20-21H,5,7,11,13H2,1-3H3/t16?,18?,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132684 (CHEMBL331799 | Methyl-(3-naphthalen-2-yl-bicyclo[2...) Show SMILES CNCC1C2CCC(C2)C1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of DA re-uptake into synaptosome				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132682 (CHEMBL113136 | [(2S,3S)-3-(3-Chloro-phenyl)-bicycl...) Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1 |wU:11.13,wD:4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(3.18,-2.78,;1.64,-2.8,;.89,-4.14,;.86,-1.47,;1.62,-.12,;3.16,.53,;3.41,2.42,;2.97,3.54,;2.9,1.88,;4.25,1.28,;4.53,-.1,;1.43,1.25,;.09,2.02,;-1.25,1.25,;-2.58,2.02,;-2.58,3.56,;-1.25,4.33,;-1.25,5.87,;.09,3.56,)| Show InChI InChI=1S/C17H24ClN/c1-19(2)11-16-12-6-8-13(9-7-12)17(16)14-4-3-5-15(18)10-14/h3-5,10,12-13,16-17H,6-9,11H2,1-2H3/t12?,13?,16-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description In vitro ability of compound to inhibit 5-HT re-uptake of radiolabelled [3H]-tritium trasmitter into synaptosome				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132677 (CHEMBL109517 | Dimethyl-((2R,3R)-3-naphthalen-2-yl...) Show SMILES CN(C)C[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132679 (CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50026952 ((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...) Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132683 (6-((2S,3S)-3-Dimethylaminomethyl-bicyclo[2.2.1]hep...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20,22H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132687 (CHEMBL324269 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C20H24FN/c1-22(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(21)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132683 (6-((2S,3S)-3-Dimethylaminomethyl-bicyclo[2.2.1]hep...) Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20,22H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132682 (CHEMBL113136 | [(2S,3S)-3-(3-Chloro-phenyl)-bicycl...) Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1 |wU:11.13,wD:4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(3.18,-2.78,;1.64,-2.8,;.89,-4.14,;.86,-1.47,;1.62,-.12,;3.16,.53,;3.41,2.42,;2.97,3.54,;2.9,1.88,;4.25,1.28,;4.53,-.1,;1.43,1.25,;.09,2.02,;-1.25,1.25,;-2.58,2.02,;-2.58,3.56,;-1.25,4.33,;-1.25,5.87,;.09,3.56,)| Show InChI InChI=1S/C17H24ClN/c1-19(2)11-16-12-6-8-13(9-7-12)17(16)14-4-3-5-15(18)10-14/h3-5,10,12-13,16-17H,6-9,11H2,1-2H3/t12?,13?,16-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50132688 (CHEMBL323447 | Dimethyl-(3-naphthalen-1-yl-bicyclo...) Show SMILES CN(C)CC1C2CCC(C2)C1c1cccc2ccccc12 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-15-10-11-16(12-15)20(19)18-9-5-7-14-6-3-4-8-17(14)18/h3-9,15-16,19-20H,10-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from Serotonin transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50026952 ((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...) Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)| Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132680 (CHEMBL322348 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21-12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22-2)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-21H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132682 (CHEMBL113136 | [(2S,3S)-3-(3-Chloro-phenyl)-bicycl...) Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1 |wU:11.13,wD:4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(3.18,-2.78,;1.64,-2.8,;.89,-4.14,;.86,-1.47,;1.62,-.12,;3.16,.53,;3.41,2.42,;2.97,3.54,;2.9,1.88,;4.25,1.28,;4.53,-.1,;1.43,1.25,;.09,2.02,;-1.25,1.25,;-2.58,2.02,;-2.58,3.56,;-1.25,4.33,;-1.25,5.87,;.09,3.56,)| Show InChI InChI=1S/C17H24ClN/c1-19(2)11-16-12-6-8-13(9-7-12)17(16)14-4-3-5-15(18)10-14/h3-5,10,12-13,16-17H,6-9,11H2,1-2H3/t12?,13?,16-,17+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description In vitro inhibition of DA re-uptake into synaptosome				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132681 (CHEMBL323678 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...) Show SMILES COc1ccc2cc(ccc2c1)[C@H]1C2CCC(C2)[C@@H]1CN(C)C Show InChI InChI=1S/C21H27NO/c1-22(2)13-20-16-5-7-18(11-16)21(20)17-6-4-15-12-19(23-3)9-8-14(15)10-17/h4,6,8-10,12,16,18,20-21H,5,7,11,13H2,1-3H3/t16?,18?,20-,21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50289291 (2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8| Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against dopamine neuronal Dopamine receptor D1				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against muscarinic neuronal receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132681 (CHEMBL323678 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...) Show SMILES COc1ccc2cc(ccc2c1)[C@H]1C2CCC(C2)[C@@H]1CN(C)C Show InChI InChI=1S/C21H27NO/c1-22(2)13-20-16-5-7-18(11-16)21(20)17-6-4-15-12-19(23-3)9-8-14(15)10-17/h4,6,8-10,12,16,18,20-21H,5,7,11,13H2,1-3H3/t16?,18?,20-,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50132678 (CHEMBL432022 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C19H22FN/c1-21-11-18-14-3-5-16(9-14)19(18)15-4-2-13-10-17(20)7-6-12(13)8-15/h2,4,6-8,10,14,16,18-19,21H,3,5,9,11H2,1H3/t14?,16?,18-,19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-WIN-35,428 from Dopamine transporter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50240701 (2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13| Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against Alpha-1 adrenergic receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50289292 (2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1 |c:13| Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against histamine H1 neuronal receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132679 (CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Compound was tested for its ability to displace [3H]-citalopram from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132685 (CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...) Show SMILES CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50289292 (2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1 |c:13| Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptor				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50289292 (2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...) Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1 |c:13| Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against neuronal Dopamine receptor D2				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound against dopamine neuronal Dopamine receptor D1				Bioorg Med Chem Lett 7: 25-30 (1997) Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50132680 (CHEMBL322348 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...) Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1 Show InChI InChI=1S/C20H25NO/c1-21-12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22-2)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-21H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Centre Curated by ChEMBL					Assay Description Displacement of [3H]-Nisoxetine from norepinephrin transpoter				Bioorg Med Chem Lett 13: 3277-80 (2003) BindingDB Entry DOI: 10.7270/Q29W0DXF
					More data for this Ligand-Target Pair

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