Compile Data Set for Download or QSAR

Found 306 hits with Last Name = 'gomez' and Initial = 'la'   

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))	BDBM50206229 (3-(9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,10b-hex...) Show SMILES Oc1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:13.13,7.7| Show InChI InChI=1S/C26H34N2O2/c29-21-8-4-7-20(17-21)25-19-28-15-5-9-26(28)24-18-22(10-11-23(24)25)30-16-6-14-27-12-2-1-3-13-27/h4,7-8,10-11,17-18,25-26,29H,1-3,5-6,9,12-16,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50216250 ((6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophe...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCCCC1 Show InChI InChI=1S/C24H32N2OS/c1-2-10-25(11-3-1)12-5-14-27-20-7-8-21-22(16-20)24-6-4-13-26(24)17-23(21)19-9-15-28-18-19/h7-9,15-16,18,23-24H,1-6,10-14,17H2/t23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50216250 ((6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophe...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCCCC1 Show InChI InChI=1S/C24H32N2OS/c1-2-10-25(11-3-1)12-5-14-27-20-7-8-21-22(16-20)24-6-4-13-26(24)17-23(21)19-9-15-28-18-19/h7-9,15-16,18,23-24H,1-6,10-14,17H2/t23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 L.L.C. Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					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))	BDBM50216245 ((6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCCCC1 Show InChI InChI=1S/C25H33N3O/c1-2-12-27(13-3-1)14-6-16-29-21-9-10-22-23(17-21)25-8-5-15-28(25)19-24(22)20-7-4-11-26-18-20/h4,7,9-11,17-18,24-25H,1-3,5-6,8,12-16,19H2/t24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50216249 ((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccn1)CN1CCCCC1 Show InChI InChI=1S/C25H33N3O/c1-4-13-27(14-5-1)15-7-17-29-20-10-11-21-22(18-20)25-9-6-16-28(25)19-23(21)24-8-2-3-12-26-24/h2-3,8,10-12,18,23,25H,1,4-7,9,13-17,19H2/t23-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50206218 (6-(4-methoxyphenyl)-9-(3-(piperidin-1-yl)propoxy)-...) Show SMILES COc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:14.14,8.8| Show InChI InChI=1S/C27H36N2O2/c1-30-22-10-8-21(9-11-22)26-20-29-17-5-7-27(29)25-19-23(12-13-24(25)26)31-18-6-16-28-14-3-2-4-15-28/h8-13,19,26-27H,2-7,14-18,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 and Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50206222 (6-phenyl-9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,1...) Show SMILES C(COc1ccc2C(CN3CCCC3c2c1)c1ccccc1)CN1CCCCC1 |w:7.18,13.12| Show InChI InChI=1S/C26H34N2O/c1-3-9-21(10-4-1)25-20-28-17-7-11-26(28)24-19-22(12-13-23(24)25)29-18-8-16-27-14-5-2-6-15-27/h1,3-4,9-10,12-13,19,25-26H,2,5-8,11,14-18,20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 and Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
					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))	BDBM50216252 ((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophe...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccs1)CN1CCCCC1 Show InChI InChI=1S/C24H32N2OS/c1-2-11-25(12-3-1)13-6-15-27-19-9-10-20-21(17-19)23-7-4-14-26(23)18-22(20)24-8-5-16-28-24/h5,8-10,16-17,22-23H,1-4,6-7,11-15,18H2/t22-,23-/m1/s1	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 L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50216251 ((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccncc1)CN1CCCCC1 Show InChI InChI=1S/C25H33N3O/c1-2-13-27(14-3-1)15-5-17-29-21-7-8-22-23(18-21)25-6-4-16-28(25)19-24(22)20-9-11-26-12-10-20/h7-12,18,24-25H,1-6,13-17,19H2/t24-,25+/m0/s1	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 L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50206228 (6-(3-chlorophenyl)-9-(3-(piperidin-1-yl)propoxy)-1...) Show SMILES Clc1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:7.7,13.13| Show InChI InChI=1S/C26H33ClN2O/c27-21-8-4-7-20(17-21)25-19-29-15-5-9-26(29)24-18-22(10-11-23(24)25)30-16-6-14-28-12-2-1-3-13-28/h4,7-8,10-11,17-18,25-26H,1-3,5-6,9,12-16,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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 Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50206235 (4-(9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,10b-hex...) Show SMILES N#Cc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:8.8,14.14| Show InChI InChI=1S/C27H33N3O/c28-19-21-7-9-22(10-8-21)26-20-30-16-4-6-27(30)25-18-23(11-12-24(25)26)31-17-5-15-29-13-2-1-3-14-29/h7-12,18,26-27H,1-6,13-17,20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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 Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50216252 ((6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophe...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccs1)CN1CCCCC1 Show InChI InChI=1S/C24H32N2OS/c1-2-11-25(12-3-1)13-6-15-27-19-9-10-20-21(17-19)23-7-4-14-26(23)18-22(20)24-8-5-16-28-24/h5,8-10,16-17,22-23H,1-4,6-7,11-15,18H2/t22-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50216250 ((6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(thiophe...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCCCC1 Show InChI InChI=1S/C24H32N2OS/c1-2-10-25(11-3-1)12-5-14-27-20-7-8-21-22(16-20)24-6-4-13-26(24)17-23(21)19-9-15-28-18-19/h7-9,15-16,18,23-24H,1-6,10-14,17H2/t23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human SERT				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					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))	BDBM50206227 (6-(2-methoxyphenyl)-9-(3-(piperidin-1-yl)propoxy)-...) Show SMILES COc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:14.14,8.8| Show InChI InChI=1S/C27H36N2O2/c1-30-27-11-4-3-9-23(27)25-20-29-17-7-10-26(29)24-19-21(12-13-22(24)25)31-18-8-16-28-14-5-2-6-15-28/h3-4,9,11-13,19,25-26H,2,5-8,10,14-18,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50206225 (6-(4-nitrophenyl)-9-(3-(piperidin-1-yl)propoxy)-1,...) Show SMILES [O-][N+](=O)c1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:15.15,9.9| Show InChI InChI=1S/C26H33N3O3/c30-29(31)21-9-7-20(8-10-21)25-19-28-16-4-6-26(28)24-18-22(11-12-23(24)25)32-17-5-15-27-13-2-1-3-14-27/h7-12,18,25-26H,1-6,13-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50206229 (3-(9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,10b-hex...) Show SMILES Oc1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:13.13,7.7| Show InChI InChI=1S/C26H34N2O2/c29-21-8-4-7-20(17-21)25-19-28-15-5-9-26(28)24-18-22(10-11-23(24)25)30-16-6-14-27-12-2-1-3-13-27/h4,7-8,10-11,17-18,25-26,29H,1-3,5-6,9,12-16,19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 L.L.C. Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat brain SERT				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
					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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50206233 (CHEMBL238951 | N,N-dimethyl-4-(9-(3-(piperidin-1-y...) Show SMILES CN(C)c1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:15.15,9.9| Show InChI InChI=1S/C28H39N3O/c1-29(2)23-11-9-22(10-12-23)27-21-31-18-6-8-28(31)26-20-24(13-14-25(26)27)32-19-7-17-30-15-4-3-5-16-30/h9-14,20,27-28H,3-8,15-19,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
					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))	BDBM50216248 ((6R,10bR)-9-(3-morpholinopropoxy)-6-(pyridin-3-yl)...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCOCC1 Show InChI InChI=1S/C24H31N3O2/c1-4-19(17-25-8-1)23-18-27-10-2-5-24(27)22-16-20(6-7-21(22)23)29-13-3-9-26-11-14-28-15-12-26/h1,4,6-8,16-17,23-24H,2-3,5,9-15,18H2/t23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 & Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					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))	BDBM50206236 (6-(4-fluorophenyl)-9-(3-(piperidin-1-yl)propoxy)-1...) Show SMILES Fc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:7.7,13.13| Show InChI InChI=1S/C26H33FN2O/c27-21-9-7-20(8-10-21)25-19-29-16-4-6-26(29)24-18-22(11-12-23(24)25)30-17-5-15-28-13-2-1-3-14-28/h7-12,18,25-26H,1-6,13-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
					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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50206221 (6-(3-methoxyphenyl)-9-(3-(piperidin-1-yl)propoxy)-...) Show SMILES COc1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:14.14,8.8| Show InChI InChI=1S/C27H36N2O2/c1-30-22-9-5-8-21(18-22)26-20-29-16-6-10-27(29)25-19-23(11-12-24(25)26)31-17-7-15-28-13-3-2-4-14-28/h5,8-9,11-12,18-19,26-27H,2-4,6-7,10,13-17,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50206217 (4-(9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,10b-hex...) Show SMILES Oc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:13.13,7.7| Show InChI InChI=1S/C26H34N2O2/c29-21-9-7-20(8-10-21)25-19-28-16-4-6-26(28)24-18-22(11-12-23(24)25)30-17-5-15-27-13-2-1-3-14-27/h7-12,18,25-26,29H,1-6,13-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation				Bioorg Med Chem Lett 17: 2603-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.106 BindingDB Entry DOI: 10.7270/Q2HH6JR6
					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 (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
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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50216242 ((6R,10bR)-9-(3-morpholinopropoxy)-6-(thiophen-3-yl...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccsc1)CN1CCOCC1 Show InChI InChI=1S/C23H30N2O2S/c1-3-23-21-15-19(27-11-2-7-24-9-12-26-13-10-24)4-5-20(21)22(16-25(23)8-1)18-6-14-28-17-18/h4-6,14-15,17,22-23H,1-3,7-13,16H2/t22-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 L.L.C. Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50216245 ((6R,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cccnc1)CN1CCCCC1 Show InChI InChI=1S/C25H33N3O/c1-2-12-27(13-3-1)14-6-16-29-21-9-10-22-23(17-21)25-8-5-15-28(25)19-24(22)20-7-4-11-26-18-20/h4,7,9-11,17-18,24-25H,1-3,5-6,8,12-16,19H2/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 L.L.C. Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50216256 ((6S,10bR)-6-(H-imidazo[1,2-a]pyridin-3-yl)-9-(3-mo...) Show SMILES C(COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1cnc2ccccn12)CN1CCOCC1 Show InChI InChI=1S/C26H32N4O2/c1-2-11-30-25(18-27-26(30)6-1)23-19-29-10-3-5-24(29)22-17-20(7-8-21(22)23)32-14-4-9-28-12-15-31-16-13-28/h1-2,6-8,11,17-18,23-24H,3-5,9-10,12-16,19H2/t23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 17: 4374-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.043 BindingDB Entry DOI: 10.7270/Q22Z157G
					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
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))	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 (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
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
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))	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))	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
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
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))	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))	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 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))	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

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