Compile Data Set for Download or QSAR

Found 1131 hits with Last Name = 'jablonowski' and Initial = 'ja'   

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))	BDBM50200636 (1-(4-(4-(piperidin-1-ylmethyl)phenyl)but-3-ynyl)pi...) Show SMILES C(CN1CCCCC1)C#Cc1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C21H30N2/c1-4-14-22(15-5-1)16-8-3-9-20-10-12-21(13-11-20)19-23-17-6-2-7-18-23/h10-13H,1-2,4-8,14-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.513	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414797 (CHEMBL582977) Show SMILES NC(=O)C1CCN(Cc2cccc(c2)C#CCCN2CCCCC2)CC1 Show InChI InChI=1S/C22H31N3O/c23-22(26)21-10-15-25(16-11-21)18-20-9-6-8-19(17-20)7-2-5-14-24-12-3-1-4-13-24/h6,8-9,17,21H,1,3-5,10-16,18H2,(H2,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414804 (CHEMBL574712) Show SMILES C(CN1CCCCC1)C#Cc1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C20H28N2/c1-3-13-21(14-4-1)15-5-2-8-19-9-11-20(12-10-19)18-22-16-6-7-17-22/h9-12H,1,3-7,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.617	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414811 (CHEMBL574721) Show SMILES C(CN1CCCC1)C#Cc1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C20H28N2/c1-3-16-22(17-4-1)18-20-11-9-19(10-12-20)8-2-5-13-21-14-6-7-15-21/h9-12H,1,3-7,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.676	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22904 ((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...) Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 and Development Curated by ChEMBL					Assay Description Binding affinity to the human histamine H3 receptor				J Med Chem 46: 3957-60 (2003) Article DOI: 10.1021/jm0341047 BindingDB Entry DOI: 10.7270/Q2QJ7J1C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414798 (CHEMBL575172) Show SMILES CN1CCN(Cc2cccc(c2)C#CCCN2CCCCC2)CC1 Show InChI InChI=1S/C21H31N3/c1-22-14-16-24(17-15-22)19-21-10-7-9-20(18-21)8-3-6-13-23-11-4-2-5-12-23/h7,9-10,18H,2,4-6,11-17,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.724	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50198598 (CHEMBL396945 | N-ethyl-3-(4-(4-methoxyphenyl)-2-me...) Show SMILES CCNCCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1 |w:11.19| Show InChI InChI=1S/C22H30N2O2/c1-4-23-12-5-13-26-20-10-11-21-18(14-20)15-24(2)16-22(21)17-6-8-19(25-3)9-7-17/h6-11,14,22-23H,4-5,12-13,15-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414800 (CHEMBL583182) Show SMILES NC(=O)C1CCN(Cc2ccc(cc2)C#CCCN2CCCCC2)CC1 Show InChI InChI=1S/C22H31N3O/c23-22(26)21-11-16-25(17-12-21)18-20-9-7-19(8-10-20)6-2-5-15-24-13-3-1-4-14-24/h7-10,21H,1,3-5,11-18H2,(H2,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.759	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414792 (CHEMBL573817) Show SMILES C(CN1CCCCC1)C#Cc1cccc(CN2CCCCC2)c1 Show InChI InChI=1S/C21H30N2/c1-4-13-22(14-5-1)15-8-3-10-20-11-9-12-21(18-20)19-23-16-6-2-7-17-23/h9,11-12,18H,1-2,4-8,13-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.776	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414813 (CHEMBL573328) Show SMILES CC(C)N1CCN(Cc2ccc(cc2)C#CCCN2CCCCC2)CC1 Show InChI InChI=1S/C23H35N3/c1-21(2)26-18-16-25(17-19-26)20-23-11-9-22(10-12-23)8-4-7-15-24-13-5-3-6-14-24/h9-12,21H,3,5-7,13-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.871	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414799 (CHEMBL573815) Show SMILES OC1CCN(Cc2ccc(cc2)C#CCCN2CCCCC2)CC1 Show InChI InChI=1S/C21H30N2O/c24-21-11-16-23(17-12-21)18-20-9-7-19(8-10-20)6-2-5-15-22-13-3-1-4-14-22/h7-10,21,24H,1,3-5,11-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.891	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414806 (CHEMBL572845) Show SMILES CN(C)Cc1ccc(cc1)C#CCCN1CCCCC1 Show InChI InChI=1S/C18H26N2/c1-19(2)16-18-11-9-17(10-12-18)8-4-7-15-20-13-5-3-6-14-20/h9-12H,3,5-7,13-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.912	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414803 (CHEMBL573321) Show SMILES CN1CCN(Cc2ccc(cc2)C#CCCN2CCCCC2)CC1 Show InChI InChI=1S/C21H31N3/c1-22-15-17-24(18-16-22)19-21-10-8-20(9-11-21)7-3-6-14-23-12-4-2-5-13-23/h8-11H,2,4-6,12-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.977	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM396409 (3-[2-(Azetidin-3-yloxy)-4-chloro-phenoxymethyl]-be...) Show SMILES Clc1ccc(OCc2cccc(c2)C#N)c(OC2CNC2)c1 Show InChI InChI=1S/C17H15ClN2O2/c18-14-4-5-16(17(7-14)22-15-9-20-10-15)21-11-13-3-1-2-12(6-13)8-19/h1-7,15,20H,9-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50011237 (CHEMBL3260334 | US9981909, Example 2) Show SMILES Clc1cccc(COc2ccc(Br)cc2OC2CNC2)c1 Show InChI InChI=1S/C16H15BrClNO2/c17-12-4-5-15(16(7-12)21-14-8-19-9-14)20-10-11-2-1-3-13(18)6-11/h1-7,14,19H,8-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50198609 (7-(3-(azetidin-1-yl)propoxy)-4-(4-methoxyphenyl)-2...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC3)ccc12 |w:8.8| Show InChI InChI=1S/C23H30N2O2/c1-24-16-19-15-21(27-14-4-13-25-11-3-12-25)9-10-22(19)23(17-24)18-5-7-20(26-2)8-6-18/h5-10,15,23H,3-4,11-14,16-17H2,1-2H3	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 and Development LLC Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50255824 ((2-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)met...) Show SMILES CC(C)N1CCC(COc2ncc(C(=O)c3ccccc3Cl)n2C)CC1 Show InChI InChI=1S/C20H26ClN3O2/c1-14(2)24-10-8-15(9-11-24)13-26-20-22-12-18(23(20)3)19(25)16-6-4-5-7-17(16)21/h4-7,12,14-15H,8-11,13H2,1-3H3	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 to human histamine H3 receptor				Bioorg Med Chem Lett 19: 903-7 (2009) Article DOI: 10.1016/j.bmcl.2008.11.114 BindingDB Entry DOI: 10.7270/Q2X63MTD
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50255823 ((2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1...) Show SMILES CC(C)N1CCC(COc2ncc(C(=O)c3ccccc3)n2C)CC1 Show InChI InChI=1S/C20H27N3O2/c1-15(2)23-11-9-16(10-12-23)14-25-20-21-13-18(22(20)3)19(24)17-7-5-4-6-8-17/h4-8,13,15-16H,9-12,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 to human histamine H3 receptor				Bioorg Med Chem Lett 19: 903-7 (2009) Article DOI: 10.1016/j.bmcl.2008.11.114 BindingDB Entry DOI: 10.7270/Q2X63MTD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM396607 (3-[5-Bromo-2-(5-trifluoromethyl-furan-2-ylmethoxy)...) Show SMILES FC(F)(F)c1ccc(COc2ccc(Br)cc2CC2CNC2)o1 Show InChI InChI=1S/C16H15BrF3NO2/c17-12-1-3-14(11(6-12)5-10-7-21-8-10)22-9-13-2-4-15(23-13)16(18,19)20/h1-4,6,10,21H,5,7-9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414805 (CHEMBL574711) Show SMILES CCN(CC)Cc1ccc(cc1)C#CCCN1CCCCC1 Show InChI InChI=1S/C20H30N2/c1-3-21(4-2)18-20-13-11-19(12-14-20)10-6-9-17-22-15-7-5-8-16-22/h11-14H,3-5,7-9,15-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50217569 (4-(3-(4-(piperidin-1-yl)but-1-ynyl)benzyl)morpholi...) Show SMILES C(CN1CCCCC1)C#Cc1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C20H28N2O/c1-3-10-21(11-4-1)12-5-2-7-19-8-6-9-20(17-19)18-22-13-15-23-16-14-22/h6,8-9,17H,1,3-5,10-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.17	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50198585 (7-(3-(4-isopropylpiperazin-1-yl)propoxy)-4-(4-meth...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(C)C)ccc12 |w:8.8| Show InChI InChI=1S/C27H39N3O2/c1-21(2)30-15-13-29(14-16-30)12-5-17-32-25-10-11-26-23(18-25)19-28(3)20-27(26)22-6-8-24(31-4)9-7-22/h6-11,18,21,27H,5,12-17,19-20H2,1-4H3	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 and Development LLC Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414812 (CHEMBL574720) Show SMILES CCN(CC)CCC#Cc1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C20H30N2/c1-3-21(4-2)15-9-6-10-19-11-13-20(14-12-19)18-22-16-7-5-8-17-22/h11-14H,3-5,7-9,15-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50198599 (1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(O)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H34N2O3/c1-26-17-20-16-23(30-15-3-12-27-13-10-21(28)11-14-27)8-9-24(20)25(18-26)19-4-6-22(29-2)7-5-19/h4-9,16,21,25,28H,3,10-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50198607 (7-(3-(4-ethylpiperazin-1-yl)propoxy)-4-(4-methoxyp...) Show SMILES CCN1CCN(CCCOc2ccc3C(CN(C)Cc3c2)c2ccc(OC)cc2)CC1 |w:14.22| Show InChI InChI=1S/C26H37N3O2/c1-4-28-13-15-29(16-14-28)12-5-17-31-24-10-11-25-22(18-24)19-27(2)20-26(25)21-6-8-23(30-3)9-7-21/h6-11,18,26H,4-5,12-17,19-20H2,1-3H3	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 and Development LLC Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					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
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 LLC Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50198596 (CHEMBL427845 | N,N-diethyl-3-(4-(4-methoxyphenyl)-...) Show SMILES CCN(CC)CCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1 |w:13.21| Show InChI InChI=1S/C24H34N2O2/c1-5-26(6-2)14-7-15-28-22-12-13-23-20(16-22)17-25(3)18-24(23)19-8-10-21(27-4)11-9-19/h8-13,16,24H,5-7,14-15,17-18H2,1-4H3	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 and Development LLC Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					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))	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))	BDBM50414793 (CHEMBL573090) Show SMILES C(CN1CCCCC1)C#Cc1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C20H28N2O/c1-3-11-21(12-4-1)13-5-2-6-19-7-9-20(10-8-19)18-22-14-16-23-17-15-22/h7-10H,1,3-5,11-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.74	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50198585 (7-(3-(4-isopropylpiperazin-1-yl)propoxy)-4-(4-meth...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(C)C)ccc12 |w:8.8| Show InChI InChI=1S/C27H39N3O2/c1-21(2)30-15-13-29(14-16-30)12-5-17-32-25-10-11-26-23(18-25)19-28(3)20-27(26)22-6-8-24(31-4)9-7-22/h6-11,18,21,27H,5,12-17,19-20H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Binding affinity to human SERT				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50414802 (CHEMBL584182) Show SMILES C(CN1CCCCC1)C#Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H35N3/c1-3-10-26(11-4-1)23-29-19-21-30(22-20-29)24-27-14-12-25(13-15-27)9-5-8-18-28-16-6-2-7-17-28/h1,3-4,10-15H,2,6-8,16-24H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.91	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 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells				Eur J Med Chem 44: 4098-106 (2009) Article DOI: 10.1016/j.ejmech.2009.04.049 BindingDB Entry DOI: 10.7270/Q2VH5Q3G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat))	BDBM396570 (3-(5-Bromo-2-phenethyloxy-phenoxy)-azetidine | US9...) Show SMILES Brc1ccc(OCCc2ccccc2)c(OC2CNC2)c1 Show InChI InChI=1S/C17H18BrNO2/c18-14-6-7-16(17(10-14)21-15-11-19-12-15)20-9-8-13-4-2-1-3-5-13/h1-7,10,15,19H,8-9,11-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM396633 (3-[5-Chloro-2-(naphthalen-2-yloxy)-phenoxy]-azetid...) Show SMILES Clc1ccc(Oc2ccc3ccccc3c2)c(OC2CNC2)c1 Show InChI InChI=1S/C19H16ClNO2/c20-15-6-8-18(19(10-15)23-17-11-21-12-17)22-16-7-5-13-3-1-2-4-14(13)9-16/h1-10,17,21H,11-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50198604 (7-(3-(3,3-difluoroazetidin-1-yl)propoxy)-4-(4-meth...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CC(F)(F)C3)ccc12 |w:8.8| Show InChI InChI=1S/C23H28F2N2O2/c1-26-13-18-12-20(29-11-3-10-27-15-23(24,25)16-27)8-9-21(18)22(14-26)17-4-6-19(28-2)7-5-17/h4-9,12,22H,3,10-11,13-16H2,1-2H3	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 LLC Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Binding affinity to human SERT				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					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 LLC Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					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 LLC Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50198607 (7-(3-(4-ethylpiperazin-1-yl)propoxy)-4-(4-methoxyp...) Show SMILES CCN1CCN(CCCOc2ccc3C(CN(C)Cc3c2)c2ccc(OC)cc2)CC1 |w:14.22| Show InChI InChI=1S/C26H37N3O2/c1-4-28-13-15-29(16-14-28)12-5-17-31-24-10-11-25-22(18-24)19-27(2)20-26(25)21-6-8-23(30-3)9-7-21/h6-11,18,26H,4-5,12-17,19-20H2,1-3H3	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 LLC Curated by ChEMBL					Assay Description Binding affinity to human SERT				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50198602 ((1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrah...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CO)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C26H36N2O3/c1-27-17-22-16-24(31-15-3-12-28-13-10-20(19-29)11-14-28)8-9-25(22)26(18-27)21-4-6-23(30-2)7-5-21/h4-9,16,20,26,29H,3,10-15,17-19H2,1-2H3	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 LLC Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50255928 ((4-chlorophenyl)(2-(1-isopropylpiperidin-4-ylthio)...) Show SMILES CC(C)N1CCC(CC1)Sc1ncc(C(=O)c2ccc(Cl)cc2)n1C Show InChI InChI=1S/C19H24ClN3OS/c1-13(2)23-10-8-16(9-11-23)25-19-21-12-17(22(19)3)18(24)14-4-6-15(20)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3	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 & Development Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 19: 903-7 (2009) Article DOI: 10.1016/j.bmcl.2008.11.114 BindingDB Entry DOI: 10.7270/Q2X63MTD
					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 (Homo sapiens (Human))	BDBM396384 (3-[2-(Azetidin-3-yloxy)-4-bromo-phenoxymethyl]-ben...) Show SMILES Brc1ccc(OCc2cccc(c2)C#N)c(OC2CNC2)c1 Show InChI InChI=1S/C17H15BrN2O2/c18-14-4-5-16(17(7-14)22-15-9-20-10-15)21-11-13-3-1-2-12(6-13)8-19/h1-7,15,20H,9-11H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...				J Med Chem 52: 3523-38 (2009) BindingDB Entry DOI: 10.7270/Q26T0Q0F
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50240620 (1-(4-chlorobenzyl)-1-(7-(pyrrolidin-1-yl)heptyl)gu...) Show SMILES NC(=N)N(CCCCCCCN1CCCC1)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C19H31ClN4/c20-18-10-8-17(9-11-18)16-24(19(21)22)15-5-3-1-2-4-12-23-13-6-7-14-23/h8-11H,1-7,12-16H2,(H3,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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 to guinea pig histamine H3 receptor				Bioorg Med Chem Lett 19: 903-7 (2009) Article DOI: 10.1016/j.bmcl.2008.11.114 BindingDB Entry DOI: 10.7270/Q2X63MTD
					More data for this Ligand-Target Pair

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