Compile Data Set for Download or QSAR

Found 242 hits with Last Name = 'leung' and Initial = 'p'   

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))	BDBM50159110 (1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...) Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1 Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.970	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321465 ((6-(3-chlorophenoxy)pyridin-3-yl)(4-cyclobutyl-1,4...) Show SMILES Clc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1 Show InChI InChI=1S/C21H24ClN3O2/c22-17-4-1-7-19(14-17)27-20-9-8-16(15-23-20)21(26)25-11-3-10-24(12-13-25)18-5-2-6-18/h1,4,7-9,14-15,18H,2-3,5-6,10-13H2	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 L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317720 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-fluo...) Show SMILES CS(=O)(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccc(F)cc1 |r| Show InChI InChI=1S/C21H30FN3O4S/c1-30(27,28)25-15-19(29-18-8-6-16(22)7-9-18)14-20(25)21(26)24-11-3-10-23(12-13-24)17-4-2-5-17/h6-9,17,19-20H,2-5,10-15H2,1H3/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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 human histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317711 (((2R,4S)-4-(4-chloro-3-methylphenoxy)pyrrolidin-2-...) Show SMILES Cc1cc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)ccc1Cl |r| Show InChI InChI=1S/C21H30ClN3O2/c1-15-12-17(6-7-19(15)22)27-18-13-20(23-14-18)21(26)25-9-3-8-24(10-11-25)16-4-2-5-16/h6-7,12,16,18,20,23H,2-5,8-11,13-14H2,1H3/t18-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321467 ((4-cyclobutyl-1,4-diazepan-1-yl)(6-(4-fluorophenox...) Show SMILES Fc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24FN3O2/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321503 ((5-(3,4-dichlorophenoxy)pyridin-2-yl)(4-isopropyl-...) Show SMILES CC(C)N1CCCN(CC1)C(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cn1 Show InChI InChI=1S/C20H23Cl2N3O2/c1-14(2)24-8-3-9-25(11-10-24)20(26)19-7-5-16(13-23-19)27-15-4-6-17(21)18(22)12-15/h4-7,12-14H,3,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317706 (1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbony...) Show SMILES CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccc(F)cc1 |r| Show InChI InChI=1S/C22H30FN3O3/c1-16(27)26-15-20(29-19-8-6-17(23)7-9-19)14-21(26)22(28)25-11-3-10-24(12-13-25)18-4-2-5-18/h6-9,18,20-21H,2-5,10-15H2,1H3/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317698 (1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbony...) Show SMILES CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1cccc(F)c1 |r| Show InChI InChI=1S/C22H30FN3O3/c1-16(27)26-15-20(29-19-8-2-5-17(23)13-19)14-21(26)22(28)25-10-4-9-24(11-12-25)18-6-3-7-18/h2,5,8,13,18,20-21H,3-4,6-7,9-12,14-15H2,1H3/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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& Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317700 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-fluo...) Show SMILES Fc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)cc1 |r| Show InChI InChI=1S/C20H28FN3O2/c21-15-5-7-17(8-6-15)26-18-13-19(22-14-18)20(25)24-10-2-9-23(11-12-24)16-3-1-4-16/h5-8,16,18-19,22H,1-4,9-14H2/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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& Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317716 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-fluo...) Show SMILES CN1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccc(F)cc1 |r| Show InChI InChI=1S/C21H30FN3O2/c1-23-15-19(27-18-8-6-16(22)7-9-18)14-20(23)21(26)25-11-3-10-24(12-13-25)17-4-2-5-17/h6-9,17,19-20H,2-5,10-15H2,1H3/t19-,20+/m0/s1	PDB Reactome pathway 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& Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321466 (3-(5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyridi...) Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2cccc(c2)C#N)nc1 Show InChI InChI=1S/C22H24N4O2/c23-15-17-4-1-7-20(14-17)28-21-9-8-18(16-24-21)22(27)26-11-3-10-25(12-13-26)19-5-2-6-19/h1,4,7-9,14,16,19H,2-3,5-6,10-13H2	PDB Reactome pathway 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& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317701 (((2R,4S)-4-(4-chlorophenoxy)pyrrolidin-2-yl)(4-cyc...) Show SMILES Clc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)cc1 |r| Show InChI InChI=1S/C20H28ClN3O2/c21-15-5-7-17(8-6-15)26-18-13-19(22-14-18)20(25)24-10-2-9-23(11-12-24)16-3-1-4-16/h5-8,16,18-19,22H,1-4,9-14H2/t18-,19+/m0/s1	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 L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317728 (1-((2R,4S)-2-(4-cyclopentyl-1,4-diazepane-1-carbon...) Show SMILES CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCCC1)Oc1cccc(F)c1 |r| Show InChI InChI=1S/C23H32FN3O3/c1-17(28)27-16-21(30-20-9-4-6-18(24)14-20)15-22(27)23(29)26-11-5-10-25(12-13-26)19-7-2-3-8-19/h4,6,9,14,19,21-22H,2-3,5,7-8,10-13,15-16H2,1H3/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	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 human histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321496 ((4-cyclobutyl-1,4-diazepan-1-yl)(6-(phenylthio)pyr...) Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Sc2ccccc2)nc1 Show InChI InChI=1S/C21H25N3OS/c25-21(24-13-5-12-23(14-15-24)18-6-4-7-18)17-10-11-20(22-16-17)26-19-8-2-1-3-9-19/h1-3,8-11,16,18H,4-7,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317703 (4-((3S,5R)-5-(4-cyclobutyl-1,4-diazepane-1-carbony...) Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCC1 |r| Show InChI InChI=1S/C21H28N4O2/c22-14-16-5-7-18(8-6-16)27-19-13-20(23-15-19)21(26)25-10-2-9-24(11-12-25)17-3-1-4-17/h5-8,17,19-20,23H,1-4,9-13,15H2/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317702 (((2R,4S)-4-(3-chlorophenoxy)pyrrolidin-2-yl)(4-cyc...) Show SMILES Clc1cccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)c1 |r| Show InChI InChI=1S/C20H28ClN3O2/c21-15-4-1-7-17(12-15)26-18-13-19(22-14-18)20(25)24-9-3-8-23(10-11-24)16-5-2-6-16/h1,4,7,12,16,18-19,22H,2-3,5-6,8-11,13-14H2/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317686 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(pyridi...) Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1cccnc1)N1CCCN(CC1)C1CCC1 |r| Show InChI InChI=1S/C19H28N4O2/c24-19(23-9-3-8-22(10-11-23)15-4-1-5-15)18-12-17(14-21-18)25-16-6-2-7-20-13-16/h2,6-7,13,15,17-18,21H,1,3-5,8-12,14H2/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	-49.0	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				J Pharmacol Exp Ther 309: 404-13 (2004) Article DOI: 10.1124/jpet.103.061754 BindingDB Entry DOI: 10.7270/Q2VX0DTD
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317688 (1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbony...) Show SMILES CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccsc1 |r| Show InChI InChI=1S/C20H29N3O3S/c1-15(24)23-13-18(26-17-6-11-27-14-17)12-19(23)20(25)22-8-3-7-21(9-10-22)16-4-2-5-16/h6,11,14,16,18-19H,2-5,7-10,12-13H2,1H3/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317708 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(o-toly...) Show SMILES Cc1ccccc1O[C@@H]1CN[C@H](C1)C(=O)N1CCCN(CC1)C1CCC1 |r| Show InChI InChI=1S/C21H31N3O2/c1-16-6-2-3-9-20(16)26-18-14-19(22-15-18)21(25)24-11-5-10-23(12-13-24)17-7-4-8-17/h2-3,6,9,17-19,22H,4-5,7-8,10-15H2,1H3/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317713 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-(met...) Show SMILES CSc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)cc1 |r| Show InChI InChI=1S/C21H31N3O2S/c1-27-19-8-6-17(7-9-19)26-18-14-20(22-15-18)21(25)24-11-3-10-23(12-13-24)16-4-2-5-16/h6-9,16,18,20,22H,2-5,10-15H2,1H3/t18-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321463 ((4-cyclobutyl-1,4-diazepan-1-yl)(5-(4-fluorophenox...) Show SMILES Fc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24FN3O2/c22-16-5-7-18(8-6-16)27-19-9-10-20(23-15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	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 Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317705 (4-((3S,5R)-5-(4-cyclopentyl-1,4-diazepane-1-carbon...) Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCCC1 |r| Show InChI InChI=1S/C22H30N4O2/c23-15-17-6-8-19(9-7-17)28-20-14-21(24-16-20)22(27)26-11-3-10-25(12-13-26)18-4-1-2-5-18/h6-9,18,20-21,24H,1-5,10-14,16H2/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	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 human histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317699 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(3-fluo...) Show SMILES Fc1cccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)c1 |r| Show InChI InChI=1S/C20H28FN3O2/c21-15-4-1-7-17(12-15)26-18-13-19(22-14-18)20(25)24-9-3-8-23(10-11-24)16-5-2-6-16/h1,4,7,12,16,18-19,22H,2-3,5-6,8-11,13-14H2/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321497 ((4-cyclobutyl-1,4-diazepan-1-yl)(5-(phenylthio)pyr...) Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Sc2ccccc2)cn1 Show InChI InChI=1S/C21H25N3OS/c25-21(24-13-5-12-23(14-15-24)17-6-4-7-17)20-11-10-19(16-22-20)26-18-8-2-1-3-9-18/h1-3,8-11,16-17H,4-7,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	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 Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317687 (1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbony...) Show SMILES CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1cccs1 |r| Show InChI InChI=1S/C20H29N3O3S/c1-15(24)23-14-17(26-19-7-3-12-27-19)13-18(23)20(25)22-9-4-8-21(10-11-22)16-5-2-6-16/h3,7,12,16-18H,2,4-6,8-11,13-14H2,1H3/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.70	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317714 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-(tri...) Show SMILES FC(F)(F)c1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)cc1 |r| Show InChI InChI=1S/C21H28F3N3O2/c22-21(23,24)15-5-7-17(8-6-15)29-18-13-19(25-14-18)20(28)27-10-2-9-26(11-12-27)16-3-1-4-16/h5-8,16,18-19,25H,1-4,9-14H2/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317704 ((4-cyclopentyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-flu...) Show SMILES Fc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCCC2)cc1 |r| Show InChI InChI=1S/C21H30FN3O2/c22-16-6-8-18(9-7-16)27-19-14-20(23-15-19)21(26)25-11-3-10-24(12-13-25)17-4-1-2-5-17/h6-9,17,19-20,23H,1-5,10-15H2/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	-47.9	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				J Pharmacol Exp Ther 309: 404-13 (2004) Article DOI: 10.1124/jpet.103.061754 BindingDB Entry DOI: 10.7270/Q2VX0DTD
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321468 ((4-cyclobutyl-1,4-diazepan-1-yl)(6-(3-fluorophenox...) Show SMILES Fc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1 Show InChI InChI=1S/C21H24FN3O2/c22-17-4-1-7-19(14-17)27-20-9-8-16(15-23-20)21(26)25-11-3-10-24(12-13-25)18-5-2-6-18/h1,4,7-9,14-15,18H,2-3,5-6,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	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 Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321498 ((4-cyclobutyl-1,4-diazepan-1-yl)(5-(2-fluorophenox...) Show SMILES Fc1ccccc1Oc1ccc(nc1)C(=O)N1CCCN(CC1)C1CCC1 Show InChI InChI=1S/C21H24FN3O2/c22-18-7-1-2-8-20(18)27-17-9-10-19(23-15-17)21(26)25-12-4-11-24(13-14-25)16-5-3-6-16/h1-2,7-10,15-16H,3-6,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	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 Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321472 ((4-cyclobutyl-1,4-diazepan-1-yl)(6-phenoxypyridin-...) Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2ccccc2)nc1 Show InChI InChI=1S/C21H25N3O2/c25-21(24-13-5-12-23(14-15-24)18-6-4-7-18)17-10-11-20(22-16-17)26-19-8-2-1-3-9-19/h1-3,8-11,16,18H,4-7,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.40	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 Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317685 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(pyridi...) Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccccn1)N1CCCN(CC1)C1CCC1 |r| Show InChI InChI=1S/C19H28N4O2/c24-19(23-10-4-9-22(11-12-23)15-5-3-6-15)17-13-16(14-21-17)25-18-7-1-2-8-20-18/h1-2,7-8,15-17,21H,3-6,9-14H2/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.60	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H4 receptor (Mus musculus (mouse))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.60	-47.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Johnson & Johnson Pharmaceutical					Assay Description The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.				J Pharmacol Exp Ther 309: 404-13 (2004) Article DOI: 10.1124/jpet.103.061754 BindingDB Entry DOI: 10.7270/Q2VX0DTD
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321469 ((4-cyclobutyl-1,4-diazepan-1-yl)(5-(4-fluorophenyl...) Show SMILES Fc1ccc(Sc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24FN3OS/c22-16-5-7-18(8-6-16)27-19-9-10-20(23-15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.60	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 Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317710 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(p-toly...) Show SMILES Cc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)cc1 |r| Show InChI InChI=1S/C21H31N3O2/c1-16-6-8-18(9-7-16)26-19-14-20(22-15-19)21(25)24-11-3-10-23(12-13-24)17-4-2-5-17/h6-9,17,19-20,22H,2-5,10-15H2,1H3/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321500 ((5-(3-chlorophenoxy)pyridin-2-yl)(4-cyclobutyl-1,4...) Show SMILES Clc1cccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)c1 Show InChI InChI=1S/C21H24ClN3O2/c22-16-4-1-7-18(14-16)27-19-8-9-20(23-15-19)21(26)25-11-3-10-24(12-13-25)17-5-2-6-17/h1,4,7-9,14-15,17H,2-3,5-6,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	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 Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317712 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(3-meth...) Show SMILES COc1cccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)c1 |r| Show InChI InChI=1S/C21H31N3O3/c1-26-17-7-3-8-18(13-17)27-19-14-20(22-15-19)21(25)24-10-4-9-23(11-12-24)16-5-2-6-16/h3,7-8,13,16,19-20,22H,2,4-6,9-12,14-15H2,1H3/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317709 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(m-toly...) Show SMILES Cc1cccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)c1 |r| Show InChI InChI=1S/C21H31N3O2/c1-16-5-2-8-18(13-16)26-19-14-20(22-15-19)21(25)24-10-4-9-23(11-12-24)17-6-3-7-17/h2,5,8,13,17,19-20,22H,3-4,6-7,9-12,14-15H2,1H3/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.20	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 human histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317707 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-phenoxy...) Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccccc1)N1CCCN(CC1)C1CCC1 |r| Show InChI InChI=1S/C20H29N3O2/c24-20(23-11-5-10-22(12-13-23)16-6-4-7-16)19-14-18(15-21-19)25-17-8-2-1-3-9-17/h1-3,8-9,16,18-19,21H,4-7,10-15H2/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.30	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 histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317684 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(thioph...) Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccsc1)N1CCCN(CC1)C1CCC1 |r| Show InChI InChI=1S/C18H27N3O2S/c22-18(17-11-16(12-19-17)23-15-5-10-24-13-15)21-7-2-6-20(8-9-21)14-3-1-4-14/h5,10,13-14,16-17,19H,1-4,6-9,11-12H2/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.30	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 histamine H3 receptor				Bioorg Med Chem Lett 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317689 (1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbony...) Show SMILES CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccccn1 |r| Show InChI InChI=1S/C21H30N4O3/c1-16(26)25-15-18(28-20-8-2-3-9-22-20)14-19(25)21(27)24-11-5-10-23(12-13-24)17-6-4-7-17/h2-3,8-9,17-19H,4-7,10-15H2,1H3/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.40	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321499 ((4-cyclobutyl-1,4-diazepan-1-yl)(5-(3-fluorophenox...) Show SMILES Fc1cccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)c1 Show InChI InChI=1S/C21H24FN3O2/c22-16-4-1-7-18(14-16)27-19-8-9-20(23-15-19)21(26)25-11-3-10-24(12-13-25)17-5-2-6-17/h1,4,7-9,14-15,17H,2-3,5-6,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	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 Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321501 ((5-(4-chlorophenoxy)pyridin-2-yl)(4-cyclobutyl-1,4...) Show SMILES Clc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24ClN3O2/c22-16-5-7-18(8-6-16)27-19-9-10-20(23-15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	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 Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321488 ((4-cyclobutyl-1,4-diazepan-1-yl)(4-(4-fluorophenox...) Show SMILES Fc1ccc(Oc2ccnc(c2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24FN3O2/c22-16-5-7-18(8-6-16)27-19-9-10-23-20(15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.70	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 Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317690 (1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbony...) Show SMILES CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1cccnc1 |r| Show InChI InChI=1S/C21H30N4O3/c1-16(26)25-15-19(28-18-7-3-8-22-14-18)13-20(25)21(27)24-10-4-9-23(11-12-24)17-5-2-6-17/h3,7-8,14,17,19-20H,2,4-6,9-13,15H2,1H3/t19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317727 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-1-(cyclop...) Show SMILES Fc1cccc(O[C@H]2C[C@@H](N(CC3CC3)C2)C(=O)N2CCCN(CC2)C2CCC2)c1 |r| Show InChI InChI=1S/C24H34FN3O2/c25-19-4-1-7-21(14-19)30-22-15-23(28(17-22)16-18-8-9-18)24(29)27-11-3-10-26(12-13-27)20-5-2-6-20/h1,4,7,14,18,20,22-23H,2-3,5-6,8-13,15-17H2/t22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50317726 ((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-1-(cyclop...) Show SMILES Fc1cccc(O[C@H]2C[C@@H](N(C2)C(=O)C2CC2)C(=O)N2CCCN(CC2)C2CCC2)c1 |r| Show InChI InChI=1S/C24H32FN3O3/c25-18-4-1-7-20(14-18)31-21-15-22(28(16-21)23(29)17-8-9-17)24(30)27-11-3-10-26(12-13-27)19-5-2-6-19/h1,4,7,14,17,19,21-22H,2-3,5-6,8-13,15-16H2/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.5	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 20: 2755-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.071 BindingDB Entry DOI: 10.7270/Q2Z60P7S
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321471 ((4-cyclobutyl-1,4-diazepan-1-yl)(6-(3,4-dichloroph...) Show SMILES Clc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1Cl Show InChI InChI=1S/C21H23Cl2N3O2/c22-18-7-6-17(13-19(18)23)28-20-8-5-15(14-24-20)21(27)26-10-2-9-25(11-12-26)16-3-1-4-16/h5-8,13-14,16H,1-4,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.60	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 Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321507 ((4-cyclopropyl-1,4-diazepan-1-yl)(6-phenoxypyridin...) Show SMILES O=C(N1CCCN(CC1)C1CC1)c1ccc(Oc2ccccc2)nc1 Show InChI InChI=1S/C20H23N3O2/c24-20(23-12-4-11-22(13-14-23)17-8-9-17)16-7-10-19(21-15-16)25-18-5-2-1-3-6-18/h1-3,5-7,10,15,17H,4,8-9,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	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 Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...				Bioorg Med Chem Lett 20: 4210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.041 BindingDB Entry DOI: 10.7270/Q29G5NS9
					More data for this Ligand-Target Pair

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