Compile Data Set for Download or QSAR

Found 193 hits with Last Name = 'mcallister' and Initial = 'hm'   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209809 (4-(3-(dimethylamino)-1-(4-(3-(piperidin-1-yl)propo...) Show SMILES CN(C)CCC(Oc1ccc(cc1)C#N)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C26H35N3O2/c1-28(2)19-15-26(31-25-11-7-22(21-27)8-12-25)23-9-13-24(14-10-23)30-20-6-18-29-16-4-3-5-17-29/h7-14,26H,3-6,15-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209802 (CHEMBL438490 | N,N-dimethyl-3-phenoxy-3-(4-(3-(pip...) Show SMILES CN(C)CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.5| Show InChI InChI=1S/C25H36N2O2/c1-26(2)20-16-25(29-24-10-5-3-6-11-24)22-12-14-23(15-13-22)28-21-9-19-27-17-7-4-8-18-27/h3,5-6,10-15,25H,4,7-9,16-21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209815 (3-(3-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperid...) Show SMILES COc1cccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)c1 |w:8.8| Show InChI InChI=1S/C26H38N2O3/c1-27(2)19-15-26(31-25-10-7-9-24(21-25)29-3)22-11-13-23(14-12-22)30-20-8-18-28-16-5-4-6-17-28/h7,9-14,21,26H,4-6,8,15-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209806 (CHEMBL245307 | N,N-dimethyl-3-phenyl-3-(3-(3-(pipe...) Show SMILES CN(C)CCC(Oc1cccc(OCCCN2CCCCC2)c1)c1ccccc1 |w:5.4| Show InChI InChI=1S/C25H36N2O2/c1-26(2)19-15-25(22-11-5-3-6-12-22)29-24-14-9-13-23(21-24)28-20-10-18-27-16-7-4-8-17-27/h3,5-6,9,11-14,21,25H,4,7-8,10,15-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209810 (CHEMBL245516 | N,N-dimethyl-3-(4-(3-(piperidin-1-y...) Show SMILES CN(C)CCC(Oc1ccc(C)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C26H38N2O2/c1-22-8-12-25(13-9-22)30-26(16-20-27(2)3)23-10-14-24(15-11-23)29-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209812 ((4-(3-(dimethylamino)-1-phenoxypropyl)phenyl)(4-is...) Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(cc1)C(CCN(C)C)Oc1ccccc1 |w:17.19| Show InChI InChI=1S/C25H35N3O2/c1-20(2)27-16-18-28(19-17-27)25(29)22-12-10-21(11-13-22)24(14-15-26(3)4)30-23-8-6-5-7-9-23/h5-13,20,24H,14-19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209816 (3-(4-(1-isopropylpiperidin-4-yloxy)phenyl)-N,N-dim...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc(cc1)C(CCN(C)C)Oc1ccccc1 |w:16.18| Show InChI InChI=1S/C25H36N2O2/c1-20(2)27-18-14-24(15-19-27)28-23-12-10-21(11-13-23)25(16-17-26(3)4)29-22-8-6-5-7-9-22/h5-13,20,24-25H,14-19H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209799 (3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-(4-(3-(pipe...) Show SMILES CN(C)CCC(Oc1ccc(Cl)c(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C25H34Cl2N2O2/c1-28(2)17-13-25(31-22-11-12-23(26)24(27)19-22)20-7-9-21(10-8-20)30-18-6-16-29-14-4-3-5-15-29/h7-12,19,25H,3-6,13-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209813 (CHEMBL246125 | N,N-dimethyl-3-(4-nitrophenoxy)-3-(...) Show SMILES CN(C)CCC(Oc1ccc(cc1)[N+]([O-])=O)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C25H35N3O4/c1-26(2)19-15-25(32-24-13-9-22(10-14-24)28(29)30)21-7-11-23(12-8-21)31-20-6-18-27-16-4-3-5-17-27/h7-14,25H,3-6,15-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209805 (3-(3-chlorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...) Show SMILES CN(C)CCC(Oc1cccc(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C25H35ClN2O2/c1-27(2)18-14-25(30-24-9-6-8-22(26)20-24)21-10-12-23(13-11-21)29-19-7-17-28-15-4-3-5-16-28/h6,8-13,20,25H,3-5,7,14-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209800 (CHEMBL394321 | N,N-dimethyl-3-(4-(methylthio)pheno...) Show SMILES CSc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1 |w:7.7| Show InChI InChI=1S/C26H38N2O2S/c1-27(2)20-16-26(30-24-12-14-25(31-3)15-13-24)22-8-10-23(11-9-22)29-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209799 (3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-(4-(3-(pipe...) Show SMILES CN(C)CCC(Oc1ccc(Cl)c(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C25H34Cl2N2O2/c1-28(2)17-13-25(31-22-11-12-23(26)24(27)19-22)20-7-9-21(10-8-20)30-18-6-16-29-14-4-3-5-15-29/h7-12,19,25H,3-6,13-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209799 (3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-(4-(3-(pipe...) Show SMILES CN(C)CCC(Oc1ccc(Cl)c(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C25H34Cl2N2O2/c1-28(2)17-13-25(31-22-11-12-23(26)24(27)19-22)20-7-9-21(10-8-20)30-18-6-16-29-14-4-3-5-15-29/h7-12,19,25H,3-6,13-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209807 (3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...) Show SMILES CN(C)CCC(Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C25H35FN2O2/c1-27(2)19-15-25(30-24-13-9-22(26)10-14-24)21-7-11-23(12-8-21)29-20-6-18-28-16-4-3-5-17-28/h7-14,25H,3-6,15-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209820 (3-(4-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperid...) Show SMILES COc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1 |w:7.7| Show InChI InChI=1S/C26H38N2O3/c1-27(2)20-16-26(31-25-14-12-23(29-3)13-15-25)22-8-10-24(11-9-22)30-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209803 (3-(3-bromophenoxy)-N,N-dimethyl-3-(4-(3-(piperidin...) Show SMILES CN(C)CCC(Oc1cccc(Br)c1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C25H35BrN2O2/c1-27(2)18-14-25(30-24-9-6-8-22(26)20-24)21-10-12-23(13-11-21)29-19-7-17-28-15-4-3-5-16-28/h6,8-13,20,25H,3-5,7,14-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209811 (CHEMBL248377 | N,N-dimethyl-3-phenyl-3-(4-(3-(pipe...) Show SMILES CN(C)CCC(Oc1ccc(OCCCN2CCCCC2)cc1)c1ccccc1 |w:5.4| Show InChI InChI=1S/C25H36N2O2/c1-26(2)20-16-25(22-10-5-3-6-11-22)29-24-14-12-23(13-15-24)28-21-9-19-27-17-7-4-8-18-27/h3,5-6,10-15,25H,4,7-9,16-21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209802 (CHEMBL438490 | N,N-dimethyl-3-phenoxy-3-(4-(3-(pip...) Show SMILES CN(C)CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.5| Show InChI InChI=1S/C25H36N2O2/c1-26(2)20-16-25(29-24-10-5-3-6-11-24)22-12-14-23(15-13-22)28-21-9-19-27-17-7-4-8-18-27/h3,5-6,10-15,25H,4,7-9,16-21H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209804 (CHEMBL245515 | N,N-dimethyl-3-phenoxy-3-(4-(4-(pip...) Show SMILES CN(C)CCC(Oc1ccccc1)c1ccc(cc1)C#CCCN1CCCCC1 |w:5.4| Show InChI InChI=1S/C26H34N2O/c1-27(2)22-18-26(29-25-12-5-3-6-13-25)24-16-14-23(15-17-24)11-7-10-21-28-19-8-4-9-20-28/h3,5-6,12-17,26H,4,8-10,18-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209800 (CHEMBL394321 | N,N-dimethyl-3-(4-(methylthio)pheno...) Show SMILES CSc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1 |w:7.7| Show InChI InChI=1S/C26H38N2O2S/c1-27(2)20-16-26(30-24-12-14-25(31-3)15-13-24)22-8-10-23(11-9-22)29-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209807 (3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...) Show SMILES CN(C)CCC(Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C25H35FN2O2/c1-27(2)19-15-25(30-24-13-9-22(26)10-14-24)21-7-11-23(12-8-21)29-20-6-18-28-16-4-3-5-17-28/h7-14,25H,3-6,15-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209810 (CHEMBL245516 | N,N-dimethyl-3-(4-(3-(piperidin-1-y...) Show SMILES CN(C)CCC(Oc1ccc(C)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C26H38N2O2/c1-22-8-12-25(13-9-22)30-26(16-20-27(2)3)23-10-14-24(15-11-23)29-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50198593 (7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209819 (3-(4-chlorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...) Show SMILES CN(C)CCC(Oc1ccc(Cl)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C25H35ClN2O2/c1-27(2)19-15-25(30-24-13-9-22(26)10-14-24)21-7-11-23(12-8-21)29-20-6-18-28-16-4-3-5-17-28/h7-14,25H,3-6,15-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50198593 (7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209817 (3-(4-bromophenoxy)-N,N-dimethyl-3-(4-(3-(piperidin...) Show SMILES CN(C)CCC(Oc1ccc(Br)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C25H35BrN2O2/c1-27(2)19-15-25(30-24-13-9-22(26)10-14-24)21-7-11-23(12-8-21)29-20-6-18-28-16-4-3-5-17-28/h7-14,25H,3-6,15-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50198593 (7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50199593 (7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...) Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50198590 (4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50198590 (4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50198593 (7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50199593 (7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...) Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at human SERT				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50199593 (7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...) Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at human SERT				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50199601 (7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(3-methoxy...) Show SMILES COc1cccc(c1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-14-4-11-28-12-9-21(26)10-13-28)7-8-24(20)25(18-27)19-5-3-6-22(15-19)29-2/h3,5-8,15-16,21,25H,4,9-14,17-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50199600 (7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...) Show SMILES CN1CC(c2ccc(cc2)S(C)(=O)=O)c2ccc(OCCCN3CCC(F)CC3)cc2C1 |w:3.3| Show InChI InChI=1S/C25H33FN2O3S/c1-27-17-20-16-22(31-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(8-5-19)32(2,29)30/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50199593 (7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-(...) Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2OS/c1-27-17-20-16-22(29-15-3-12-28-13-10-21(26)11-14-28)6-9-24(20)25(18-27)19-4-7-23(30-2)8-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50198593 (7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50198593 (7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209820 (3-(4-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperid...) Show SMILES COc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1 |w:7.7| Show InChI InChI=1S/C26H38N2O3/c1-27(2)20-16-26(31-25-14-12-23(29-3)13-15-25)22-8-10-24(11-9-22)30-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209815 (3-(3-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperid...) Show SMILES COc1cccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)c1 |w:8.8| Show InChI InChI=1S/C26H38N2O3/c1-27(2)19-15-26(31-25-10-7-9-24(21-25)29-3)22-11-13-23(14-12-22)30-20-8-18-28-16-5-4-6-17-28/h7,9-14,21,26H,4-6,8,15-20H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					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	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at human SERT				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50199597 (2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...) Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50199597 (2-methyl-4-(4-(methylthio)phenyl)-7-(3-morpholinop...) Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 |w:8.8| Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209814 ((4-(3-(dimethylamino)-1-(4-(trifluoromethyl)phenox...) Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(cc1)C(CCN(C)C)Oc1ccc(cc1)C(F)(F)F |w:17.19| Show InChI InChI=1S/C26H34F3N3O2/c1-19(2)31-15-17-32(18-16-31)25(33)21-7-5-20(6-8-21)24(13-14-30(3)4)34-23-11-9-22(10-12-23)26(27,28)29/h5-12,19,24H,13-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209819 (3-(4-chlorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...) Show SMILES CN(C)CCC(Oc1ccc(Cl)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C25H35ClN2O2/c1-27(2)19-15-25(30-24-13-9-22(26)10-14-24)21-7-11-23(12-8-21)29-20-6-18-28-16-4-3-5-17-28/h7-14,25H,3-6,15-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50209803 (3-(3-bromophenoxy)-N,N-dimethyl-3-(4-(3-(piperidin...) Show SMILES CN(C)CCC(Oc1cccc(Br)c1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C25H35BrN2O2/c1-27(2)18-14-25(30-24-9-6-8-22(26)20-24)21-10-12-23(13-11-21)29-19-7-17-28-15-4-3-5-16-28/h6,8-13,20,25H,3-5,7,14-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50199603 (4-(4-ethoxyphenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...) Show SMILES CCOc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:9.9| Show InChI InChI=1S/C26H35FN2O2/c1-3-30-23-7-5-20(6-8-23)26-19-28(2)18-21-17-24(9-10-25(21)26)31-16-4-13-29-14-11-22(27)12-15-29/h5-10,17,22,26H,3-4,11-16,18-19H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at rat SERT				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50198593 (7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at human SERT				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209808 (CHEMBL248375 | N,N-dimethyl-3-(4-(3-(piperidin-1-y...) Show SMILES CN(C)CCC(Oc1ccc(cc1)C(F)(F)F)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C26H35F3N2O2/c1-30(2)19-15-25(33-24-13-9-22(10-14-24)26(27,28)29)21-7-11-23(12-8-21)32-20-6-18-31-16-4-3-5-17-31/h7-14,25H,3-6,15-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity at human histamine H3 receptor				Bioorg Med Chem Lett 17: 3130-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.034 BindingDB Entry DOI: 10.7270/Q2H131QK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50198593 (7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity at human SERT				Bioorg Med Chem Lett 17: 1047-51 (2007) Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 193 total )  |  Next  |  Last  >>

Jump to: