Compile Data Set for Download or QSAR

Found 202 hits with Last Name = 'sehmi' and Initial = 'ss'   

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 (Rattus norvegicus (rat))	BDBM50444496 (CHEMBL3092650) Show SMILES O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from rat histamine H3 receptor expressed in HEK293 cells after 45 mins by liquid scintillation spectromet...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444491 (CHEMBL3092823) Show SMILES O=C1CCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C22H25N3O2/c26-22-10-13-25(22)19-5-7-21(23-15-19)27-20-6-4-16-8-11-24(18-2-1-3-18)12-9-17(16)14-20/h4-7,14-15,18H,1-3,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444496 (CHEMBL3092650) Show SMILES O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444500 (CHEMBL3092834) Show SMILES Cc1nnc(o1)-c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C22H24N4O2/c1-15-24-25-22(27-15)18-6-8-21(23-14-18)28-20-7-5-16-9-11-26(19-3-2-4-19)12-10-17(16)13-20/h5-8,13-14,19H,2-4,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444509 (CHEMBL3092840) Show SMILES O=C(N1CCCC1)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C24H29N3O2/c28-24(27-12-1-2-13-27)20-7-9-23(25-17-20)29-22-8-6-18-10-14-26(21-4-3-5-21)15-11-19(18)16-22/h6-9,16-17,21H,1-5,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444507 (CHEMBL3092826) Show SMILES CC(C)NC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C23H29N3O2/c1-16(2)25-23(27)19-7-9-22(24-15-19)28-21-8-6-17-10-12-26(20-4-3-5-20)13-11-18(17)14-21/h6-9,14-16,20H,3-5,10-13H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444505 (CHEMBL3092828) Show SMILES CC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)cn1 Show InChI InChI=1S/C21H24N2O2/c1-15(24)21-8-7-20(14-22-21)25-19-6-5-16-9-11-23(18-3-2-4-18)12-10-17(16)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50247054 (6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...) Show SMILES CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.676	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from rat histamine H3 receptor expressed in HEK293 cells after 45 mins by liquid scintillation spectromet...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444489 (CHEMBL3092825) Show SMILES O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCCC2)nc1 Show InChI InChI=1S/C24H29N3O2/c28-24-6-3-13-27(24)21-8-10-23(25-17-21)29-22-9-7-18-11-14-26(15-12-19(18)16-22)20-4-1-2-5-20/h7-10,16-17,20H,1-6,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444495 (CHEMBL3092651) Show SMILES O=C1OCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C22H25N3O3/c26-22-25(12-13-27-22)19-5-7-21(23-15-19)28-20-6-4-16-8-10-24(18-2-1-3-18)11-9-17(16)14-20/h4-7,14-15,18H,1-3,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50346209 (5-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...) Show SMILES CNC(=O)c1cnc(Oc2ccc3CCN(CCc3c2)C2CCC2)cn1 Show InChI InChI=1S/C20H24N4O2/c1-21-20(25)18-12-23-19(13-22-18)26-17-6-5-14-7-9-24(16-3-2-4-16)10-8-15(14)11-17/h5-6,11-13,16H,2-4,7-10H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.832	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444506 (CHEMBL3092827) Show SMILES CC(=O)Nc1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C21H25N3O2/c1-15(25)23-18-6-8-21(22-14-18)26-20-7-5-16-9-11-24(19-3-2-4-19)12-10-17(16)13-20/h5-8,13-14,19H,2-4,9-12H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444494 (CHEMBL3092820) Show SMILES CN1CCN(C1=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C23H28N4O2/c1-25-13-14-27(23(25)28)20-6-8-22(24-16-20)29-21-7-5-17-9-11-26(19-3-2-4-19)12-10-18(17)15-21/h5-8,15-16,19H,2-4,9-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50346209 (5-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...) Show SMILES CNC(=O)c1cnc(Oc2ccc3CCN(CCc3c2)C2CCC2)cn1 Show InChI InChI=1S/C20H24N4O2/c1-21-20(25)18-12-23-19(13-22-18)26-17-6-5-14-7-9-24(16-3-2-4-16)10-8-15(14)11-17/h5-6,11-13,16H,2-4,7-10H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from rat histamine H3 receptor expressed in HEK293 cells after 45 mins by liquid scintillation spectromet...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444493 (CHEMBL3092821) Show SMILES O[C@H]1CN(C(=O)C1)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 |r| Show InChI InChI=1S/C23H27N3O3/c27-20-13-23(28)26(15-20)19-5-7-22(24-14-19)29-21-6-4-16-8-10-25(18-2-1-3-18)11-9-17(16)12-21/h4-7,12,14,18,20,27H,1-3,8-11,13,15H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444510 (CHEMBL3092839) Show SMILES NC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C20H23N3O2/c21-20(24)16-5-7-19(22-13-16)25-18-6-4-14-8-10-23(17-2-1-3-17)11-9-15(14)12-18/h4-7,12-13,17H,1-3,8-11H2,(H2,21,24)	PDB Reactome pathway 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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444490 (CHEMBL3092824) Show SMILES O=C1CCCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C24H29N3O2/c28-24-6-1-2-13-27(24)21-8-10-23(25-17-21)29-22-9-7-18-11-14-26(20-4-3-5-20)15-12-19(18)16-22/h7-10,16-17,20H,1-6,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444499 (CHEMBL3092835) Show SMILES Cc1noc(C)c1-c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C24H27N3O2/c1-16-24(17(2)29-26-16)20-7-9-23(25-15-20)28-22-8-6-18-10-12-27(21-4-3-5-21)13-11-19(18)14-22/h6-9,14-15,21H,3-5,10-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444497 (CHEMBL3092649) Show SMILES C1CC(C1)N1CCc2ccc(Oc3ccc(cn3)-c3cc[nH]n3)cc2CC1 Show InChI InChI=1S/C22H24N4O/c1-2-19(3-1)26-12-9-16-4-6-20(14-17(16)10-13-26)27-22-7-5-18(15-23-22)21-8-11-24-25-21/h4-8,11,14-15,19H,1-3,9-10,12-13H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444492 (CHEMBL3092822) Show SMILES CC1CCC(=O)N1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C24H29N3O2/c1-17-5-10-24(28)27(17)21-7-9-23(25-16-21)29-22-8-6-18-11-13-26(20-3-2-4-20)14-12-19(18)15-22/h6-9,15-17,20H,2-5,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50247054 (6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...) Show SMILES CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444498 (CHEMBL3092648) Show SMILES C1CC(C1)N1CCc2ccc(Oc3ccc(cn3)-n3cccn3)cc2CC1 Show InChI InChI=1S/C22H24N4O/c1-3-19(4-1)25-13-9-17-5-7-21(15-18(17)10-14-25)27-22-8-6-20(16-23-22)26-12-2-11-24-26/h2,5-8,11-12,15-16,19H,1,3-4,9-10,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444502 (CHEMBL3092831) Show SMILES CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)cn1 Show InChI InChI=1S/C21H25N3O2/c1-22-21(25)20-8-7-19(14-23-20)26-18-6-5-15-9-11-24(17-3-2-4-17)12-10-16(15)13-18/h5-8,13-14,17H,2-4,9-12H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444501 (CHEMBL3092832) Show SMILES CCNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)cn1 Show InChI InChI=1S/C22H27N3O2/c1-2-23-22(26)21-9-8-20(15-24-21)27-19-7-6-16-10-12-25(18-4-3-5-18)13-11-17(16)14-19/h6-9,14-15,18H,2-5,10-13H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444511 (CHEMBL3092838) Show SMILES Cc1nc(Oc2ccc3CCN(CCc3c2)C2CCC2)ccc1C#N Show InChI InChI=1S/C21H23N3O/c1-15-18(14-22)6-8-21(23-15)25-20-7-5-16-9-11-24(19-3-2-4-19)12-10-17(16)13-20/h5-8,13,19H,2-4,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444504 (CHEMBL3092829) Show SMILES CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)cc1 Show InChI InChI=1S/C22H26N2O2/c1-23-22(25)17-6-8-20(9-7-17)26-21-10-5-16-11-13-24(19-3-2-4-19)14-12-18(16)15-21/h5-10,15,19H,2-4,11-14H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444503 (CHEMBL3092830) Show SMILES CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nn1 Show InChI InChI=1S/C20H24N4O2/c1-21-20(25)18-7-8-19(23-22-18)26-17-6-5-14-9-11-24(16-3-2-4-16)12-10-15(14)13-17/h5-8,13,16H,2-4,9-12H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50444508 (CHEMBL3091477) Show SMILES CCN(C)C(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C23H29N3O2/c1-3-25(2)23(27)19-8-10-22(24-16-19)28-21-9-7-17-11-13-26(20-5-4-6-20)14-12-18(17)15-21/h7-10,15-16,20H,3-6,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50443776 (CHEMBL3092836) Show SMILES O=C(N1CCOCC1)N1CCC(CC1)Oc1ccc2CCN(CCc2c1)C1CCC1 Show InChI InChI=1S/C24H35N3O3/c28-24(27-14-16-29-17-15-27)26-12-8-22(9-13-26)30-23-5-4-19-6-10-25(21-2-1-3-21)11-7-20(19)18-23/h4-5,18,21-22H,1-3,6-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillatio...				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50443776 (CHEMBL3092836) Show SMILES O=C(N1CCOCC1)N1CCC(CC1)Oc1ccc2CCN(CCc2c1)C1CCC1 Show InChI InChI=1S/C24H35N3O3/c28-24(27-14-16-29-17-15-27)26-12-8-22(9-13-26)30-23-5-4-19-6-10-25(21-2-1-3-21)11-7-20(19)18-23/h4-5,18,21-22H,1-3,6-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Displacement of [3H]R-alpha-methylhistamine from histamine H3 receptor in rat cerebral cortical membranes after 45 mins by liquid scintillation spect...				Bioorg Med Chem Lett 23: 6897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.09.089 BindingDB Entry DOI: 10.7270/Q2HM59X6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50443783 (CHEMBL3094114) Show SMILES C(Oc1ccc2CCN(CC3CC3)CCc2c1)c1ccccc1 Show InChI InChI=1S/C21H25NO/c1-2-4-18(5-3-1)16-23-21-9-8-19-10-12-22(15-17-6-7-17)13-11-20(19)14-21/h1-5,8-9,14,17H,6-7,10-13,15-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced effect by FLIPR ass...				Bioorg Med Chem Lett 23: 6897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.09.089 BindingDB Entry DOI: 10.7270/Q2HM59X6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50443787 (CHEMBL3094214) Show SMILES C(COc1ccc2CCN(CCc2c1)c1ccccc1)CN1CCCCC1 Show InChI InChI=1S/C24H32N2O/c1-3-8-23(9-4-1)26-17-12-21-10-11-24(20-22(21)13-18-26)27-19-7-16-25-14-5-2-6-15-25/h1,3-4,8-11,20H,2,5-7,12-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced effect by FLIPR ass...				Bioorg Med Chem Lett 23: 6897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.09.089 BindingDB Entry DOI: 10.7270/Q2HM59X6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50443789 (CHEMBL3094130) Show SMILES C(COc1ccc2CCNCCc2c1)CN1CCCCC1 Show InChI InChI=1S/C18H28N2O/c1-2-11-20(12-3-1)13-4-14-21-18-6-5-16-7-9-19-10-8-17(16)15-18/h5-6,15,19H,1-4,7-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced effect by FLIPR ass...				Bioorg Med Chem Lett 23: 6897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.09.089 BindingDB Entry DOI: 10.7270/Q2HM59X6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50346209 (5-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...) Show SMILES CNC(=O)c1cnc(Oc2ccc3CCN(CCc3c2)C2CCC2)cn1 Show InChI InChI=1S/C20H24N4O2/c1-21-20(25)18-12-23-19(13-22-18)26-17-6-5-14-7-9-24(16-3-2-4-16)10-8-15(14)11-17/h5-6,11-13,16H,2-4,7-10H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50443784 (CHEMBL3094217) Show SMILES C(CN1CCCCC1)Oc1ccc2CCN(CC3CC3)CCc2c1 Show InChI InChI=1S/C21H32N2O/c1-2-10-22(11-3-1)14-15-24-21-7-6-19-8-12-23(17-18-4-5-18)13-9-20(19)16-21/h6-7,16,18H,1-5,8-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced effect by FLIPR ass...				Bioorg Med Chem Lett 23: 6897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.09.089 BindingDB Entry DOI: 10.7270/Q2HM59X6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50443785 (CHEMBL3094216) Show SMILES C(COc1ccc2CCN(CC3CCCO3)CCc2c1)CN1CCCCC1 Show InChI InChI=1S/C23H36N2O2/c1-2-11-24(12-3-1)13-5-17-26-22-8-7-20-9-14-25(15-10-21(20)18-22)19-23-6-4-16-27-23/h7-8,18,23H,1-6,9-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced effect by FLIPR ass...				Bioorg Med Chem Lett 23: 6897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.09.089 BindingDB Entry DOI: 10.7270/Q2HM59X6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50443786 (CHEMBL3094215) Show SMILES C(COc1ccc2CCN(CC3CC3)CCc2c1)CN1CCCCC1 Show InChI InChI=1S/C22H34N2O/c1-2-11-23(12-3-1)13-4-16-25-22-8-7-20-9-14-24(18-19-5-6-19)15-10-21(20)17-22/h7-8,17,19H,1-6,9-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced effect by FLIPR ass...				Bioorg Med Chem Lett 23: 6897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.09.089 BindingDB Entry DOI: 10.7270/Q2HM59X6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50443790 (CHEMBL3094128) Show SMILES O=C(N[C@H]1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)C1)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C27H35N3O4/c31-27(22-7-10-25-26(17-22)34-20-33-25)28-23-11-15-30(19-23)18-21-5-8-24(9-6-21)32-16-4-14-29-12-2-1-3-13-29/h5-10,17,23H,1-4,11-16,18-20H2,(H,28,31)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced effect by FLIPR ass...				Bioorg Med Chem Lett 23: 6897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.09.089 BindingDB Entry DOI: 10.7270/Q2HM59X6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50247054 (6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...) Show SMILES CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50444496 (CHEMBL3092650) Show SMILES O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced effect by FLIPR ass...				Bioorg Med Chem Lett 23: 6897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.09.089 BindingDB Entry DOI: 10.7270/Q2HM59X6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50443788 (CHEMBL3094213) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2CCNCCc2c1 Show InChI InChI=1S/C18H28N2O/c1-14(2)20-11-7-17(8-12-20)21-18-4-3-15-5-9-19-10-6-16(15)13-18/h3-4,13-14,17,19H,5-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced effect by FLIPR ass...				Bioorg Med Chem Lett 23: 6897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.09.089 BindingDB Entry DOI: 10.7270/Q2HM59X6
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50346209 (5-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...) Show SMILES CNC(=O)c1cnc(Oc2ccc3CCN(CCc3c2)C2CCC2)cn1 Show InChI InChI=1S/C20H24N4O2/c1-21-20(25)18-12-23-19(13-22-18)26-17-6-5-14-7-9-24(16-3-2-4-16)10-8-15(14)11-17/h5-6,11-13,16H,2-4,7-10H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to human histamine H2 receptor				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50444496 (CHEMBL3092650) Show SMILES O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to human histamine H2 receptor				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50247054 (6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...) Show SMILES CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to human histamine H2 receptor				Bioorg Med Chem Lett 23: 6890-6 (2013) Article DOI: 10.1016/j.bmcl.2013.09.090 BindingDB Entry DOI: 10.7270/Q2PZ5B83
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443781 (CHEMBL3094120) Show SMILES C(Oc1ccc2CCN(CCc2c1)C1CCCC1)c1ccccc1 Show InChI InChI=1S/C22H27NO/c1-2-6-18(7-3-1)17-24-22-11-10-19-12-14-23(15-13-20(19)16-22)21-8-4-5-9-21/h1-3,6-7,10-11,16,21H,4-5,8-9,12-15,17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 23: 6897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.09.089 BindingDB Entry DOI: 10.7270/Q2HM59X6
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443782 (CHEMBL3092643) Show SMILES C(Oc1ccc2CCN(CCc2c1)C1CCC1)c1ccccc1 Show InChI InChI=1S/C21H25NO/c1-2-5-17(6-3-1)16-23-21-10-9-18-11-13-22(20-7-4-8-20)14-12-19(18)15-21/h1-3,5-6,9-10,15,20H,4,7-8,11-14,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 23: 6897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.09.089 BindingDB Entry DOI: 10.7270/Q2HM59X6
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443783 (CHEMBL3094114) Show SMILES C(Oc1ccc2CCN(CC3CC3)CCc2c1)c1ccccc1 Show InChI InChI=1S/C21H25NO/c1-2-4-18(5-3-1)16-23-21-9-8-19-10-12-22(15-17-6-7-17)13-11-20(19)14-21/h1-5,8-9,14,17H,6-7,10-13,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 23: 6897-901 (2013) Article DOI: 10.1016/j.bmcl.2013.09.089 BindingDB Entry DOI: 10.7270/Q2HM59X6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50382046 (CHEMBL2022737) Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCCCC3)o2)c(Cl)c1 Show InChI InChI=1S/C24H27ClFN5O2/c25-20-16-17(28-22(32)19-8-2-3-9-21(19)26)10-11-18(20)23-29-30-24(33-23)27-12-4-7-15-31-13-5-1-6-14-31/h2-3,8-11,16H,1,4-7,12-15H2,(H,27,30)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay				Bioorg Med Chem Lett 22: 3531-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50381984 (CHEMBL2023930) Show SMILES CCc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1 Show InChI InChI=1S/C25H30FN5O2/c1-2-18-17-19(28-23(32)21-9-4-5-10-22(21)26)11-12-20(18)24-29-30-25(33-24)27-13-8-16-31-14-6-3-7-15-31/h4-5,9-12,17H,2-3,6-8,13-16H2,1H3,(H,27,30)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay				Bioorg Med Chem Lett 22: 3560-3 (2012) Article DOI: 10.1016/j.bmcl.2012.03.040 BindingDB Entry DOI: 10.7270/Q21V5FZC
					More data for this Ligand-Target Pair

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