Compile Data Set for Download or QSAR

Found 256 hits with Last Name = 'sepassi' and Initial = 'k'   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254160 (US10112937, Example 40 | US10150765, Example 40 | ...) Show SMILES C[C@H]1N(CCc2c1ncn2-c1ccc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C20H15ClF4N4O/c1-11-18-15(29(10-27-18)16-6-5-12(22)9-26-16)7-8-28(11)19(30)13-3-2-4-14(17(13)21)20(23,24)25/h2-6,9-11H,7-8H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-(S)-7-(2-chloro-3-(trifluoromethyl)benzyl)-6-methyl-3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one from re...				J Med Chem 59: 8535-48 (2016) Article DOI: 10.1021/acs.jmedchem.6b00989 BindingDB Entry DOI: 10.7270/Q28K7C1M
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254160 (US10112937, Example 40 | US10150765, Example 40 | ...) Show SMILES C[C@H]1N(CCc2c1ncn2-c1ccc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C20H15ClF4N4O/c1-11-18-15(29(10-27-18)16-6-5-12(22)9-26-16)7-8-28(11)19(30)13-3-2-4-14(17(13)21)20(23,24)25/h2-6,9-11H,7-8H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-(S)-7-(2-chloro-3-(trifluoromethyl)benzyl)-6-methyl-3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one from re...				J Med Chem 59: 8535-48 (2016) Article DOI: 10.1021/acs.jmedchem.6b00989 BindingDB Entry DOI: 10.7270/Q28K7C1M
					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))	BDBM50321502 ((4-cyclopropyl-1,4-diazepan-1-yl)(5-(3,4-dichlorop...) Show SMILES Clc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CC2)cc1Cl Show InChI InChI=1S/C20H21Cl2N3O2/c21-17-6-4-15(12-18(17)22)27-16-5-7-19(23-13-16)20(26)25-9-1-8-24(10-11-25)14-2-3-14/h4-7,12-14H,1-3,8-11H2	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
Histamine H3 receptor (Rattus norvegicus (rat))	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 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 Binding affinity to histamine H3 receptor in rat brain				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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321491 ((4-cyclobutyl-1,4-diazepan-1-yl)(5-phenoxypyridin-...) Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1cncc(Oc2ccccc2)c1 Show InChI InChI=1S/C21H25N3O2/c25-21(24-11-5-10-23(12-13-24)18-6-4-7-18)17-14-20(16-22-15-17)26-19-8-2-1-3-9-19/h1-3,8-9,14-16,18H,4-7,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	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 (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	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 histamine H3 receptor in rat brain				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))	BDBM50321508 (3-(5-(4-cyclopropyl-1,4-diazepane-1-carbonyl)pyrid...) Show SMILES O=C(N1CCCN(CC1)C1CC1)c1ccc(Oc2cccc(c2)C#N)nc1 Show InChI InChI=1S/C21H22N4O2/c22-14-16-3-1-4-19(13-16)27-20-8-5-17(15-23-20)21(26)25-10-2-9-24(11-12-25)18-6-7-18/h1,3-5,8,13,15,18H,2,6-7,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	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))	BDBM50321505 ((6-(4-chlorophenoxy)pyridin-3-yl)(4-cyclopropyl-1,...) Show SMILES Clc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CC2)cc1 Show InChI InChI=1S/C20H22ClN3O2/c21-16-3-7-18(8-4-16)26-19-9-2-15(14-22-19)20(25)24-11-1-10-23(12-13-24)17-5-6-17/h2-4,7-9,14,17H,1,5-6,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	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 (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	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 histamine H3 receptor in rat brain				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 (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	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 histamine H3 receptor in rat brain				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))	BDBM50321473 ((4-cyclopropyl-1,4-diazepan-1-yl)(6-(3-fluoropheno...) Show SMILES Fc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CC2)c1 Show InChI InChI=1S/C20H22FN3O2/c21-16-3-1-4-18(13-16)26-19-8-5-15(14-22-19)20(25)24-10-2-9-23(11-12-24)17-6-7-17/h1,3-5,8,13-14,17H,2,6-7,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	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))	BDBM50321470 ((6-(3-chlorophenoxy)pyridin-3-yl)(4-cyclopropyl-1,...) Show SMILES Clc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CC2)c1 Show InChI InChI=1S/C20H22ClN3O2/c21-16-3-1-4-18(13-16)26-19-8-5-15(14-22-19)20(25)24-10-2-9-23(11-12-24)17-6-7-17/h1,3-5,8,13-14,17H,2,6-7,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	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))	BDBM50321504 ((6-(2-chlorophenoxy)pyridin-3-yl)(4-cyclobutyl-1,4...) Show SMILES Clc1ccccc1Oc1ccc(cn1)C(=O)N1CCCN(CC1)C1CCC1 Show InChI InChI=1S/C21H24ClN3O2/c22-18-7-1-2-8-19(18)27-20-10-9-16(15-23-20)21(26)25-12-4-11-24(13-14-25)17-5-3-6-17/h1-2,7-10,15,17H,3-6,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	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))	BDBM50321490 ((4-cyclobutyl-1,4-diazepan-1-yl)(5-(4-fluorophenox...) Show SMILES Fc1ccc(Oc2cncc(c2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24FN3O2/c22-17-5-7-19(8-6-17)27-20-13-16(14-23-15-20)21(26)25-10-2-9-24(11-12-25)18-3-1-4-18/h5-8,13-15,18H,1-4,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	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))	BDBM50321506 ((6-(3,4-dichlorophenoxy)pyridin-3-yl)(4-isopropyl-...) Show SMILES CC(C)N1CCCN(CC1)C(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1 Show InChI InChI=1S/C20H23Cl2N3O2/c1-14(2)24-8-3-9-25(11-10-24)20(26)15-4-7-19(23-13-15)27-16-5-6-17(21)18(22)12-16/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	18	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 (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	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 histamine H3 receptor in rat brain				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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468103 ((R)-N-(1-Acryloylpiperidin-3-yl)-5-(*S)-(6-(cyclop...) Show SMILES Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,(-1.92,5.75,;-3.25,4.98,;-4.59,5.75,;-5.92,4.98,;-7.25,5.75,;-8.59,4.98,;-9.99,5.6,;-11.02,4.46,;-10.25,3.13,;-8.75,3.45,;-5.92,3.44,;-4.59,2.67,;-3.25,3.44,;-1.92,2.67,;-1.92,1.13,;-3.25,.36,;-3.25,-1.18,;-1.92,-1.95,;-.59,-1.18,;.88,-1.66,;1.78,-.41,;3.32,-.41,;4.09,.92,;4.09,-1.75,;5.63,-1.75,;6.4,-.41,;7.94,-.41,;8.71,-1.75,;7.94,-3.08,;6.4,-3.08,;8.71,-4.41,;7.94,-5.75,;10.25,-4.41,;11.02,-5.75,;.75,1.13,;.75,2.67,;-.59,3.44,;-.59,4.98,;-.59,.36,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01026 BindingDB Entry DOI: 10.7270/Q2MK6HZ3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254296 (US10112937, Example 193 | US10150765, Example 193 ...) Show SMILES C[C@H]1N(CCc2c1ncn2-c1ncc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C19H14ClF4N5O/c1-10-16-14(29(9-27-16)18-25-7-11(21)8-26-18)5-6-28(10)17(30)12-3-2-4-13(15(12)20)19(22,23)24/h2-4,7-10H,5-6H2,1H3/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-(S)-7-(2-chloro-3-(trifluoromethyl)benzyl)-6-methyl-3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one from re...				J Med Chem 59: 8535-48 (2016) Article DOI: 10.1021/acs.jmedchem.6b00989 BindingDB Entry DOI: 10.7270/Q28K7C1M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	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 histamine H3 receptor in rat brain				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 (Rattus norvegicus (rat))	BDBM50321464 ((6-(4-chlorophenoxy)pyridin-3-yl)(4-cyclobutyl-1,4...) Show SMILES Clc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24ClN3O2/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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	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 histamine H3 receptor in rat brain				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 (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	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 histamine H3 receptor in rat brain				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))	BDBM50321474 ((4-cyclopropyl-1,4-diazepan-1-yl)(6-(4-fluoropheno...) Show SMILES Fc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CC2)cc1 Show InChI InChI=1S/C20H22FN3O2/c21-16-3-7-18(8-4-16)26-19-9-2-15(14-22-19)20(25)24-11-1-10-23(12-13-24)17-5-6-17/h2-4,7-9,14,17H,1,5-6,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM468000 ((R)-N-(1-Acryloylpiperidin-3-yl)-5-(*S)-(4-methyl-...) Show SMILES Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-4.48,-.77,;-4.48,.77,;-5.82,1.54,;-5.82,3.08,;-7.15,3.85,;-8.48,3.08,;-9.82,3.85,;-11.15,3.08,;-11.15,1.54,;-9.82,.77,;-8.48,1.54,;-4.48,3.85,;-3.15,3.08,;-3.15,1.54,;-1.82,.77,;-1.82,-.77,;-3.15,-1.54,;-3.15,-3.08,;-1.82,-3.85,;-.48,-3.08,;1.01,-3.48,;1.94,-1.86,;3.48,-1.86,;4.25,-3.19,;4.25,-.53,;5.79,-.53,;6.56,-1.86,;8.1,-1.86,;8.87,-.53,;8.1,.81,;6.56,.81,;8.87,2.14,;8.1,3.48,;10.41,2.14,;11.15,3.43,;.85,-.77,;.85,.77,;-.48,1.54,;-.48,3.08,;-.48,-1.54,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01026 BindingDB Entry DOI: 10.7270/Q2MK6HZ3
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321495 ((4-cyclobutyl-1,4-diazepan-1-yl)(6-(4-fluorophenyl...) Show SMILES Fc1ccc(Sc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C21H24FN3OS/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	29	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM467718 ((R)-N-(1-Acryloylpyrrolidin-3-yl)-5-(2-methyl-4-(2...) Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1,4.5,;-2.28,3.77,;-3.62,4.54,;-4.95,3.77,;-6.28,4.54,;-7.62,3.77,;-8.95,4.54,;-10.28,3.77,;-10.28,2.23,;-8.95,1.46,;-7.62,2.23,;-4.95,2.23,;-3.62,1.46,;-2.28,2.23,;-.95,1.46,;-.95,-.08,;-2.28,-.85,;-2.28,-2.39,;-.95,-3.16,;.39,-2.39,;1.85,-2.87,;2.76,-1.62,;4.29,-1.65,;5.09,-.33,;5.04,-3,;6.58,-3,;7.49,-1.75,;8.95,-2.23,;8.95,-3.77,;7.49,-4.24,;10.28,-4.54,;10.28,-6.08,;11.62,-3.77,;11.62,-2.23,;1.72,-.08,;1.72,1.46,;.39,2.23,;.39,3.77,;.39,-.85,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01026 BindingDB Entry DOI: 10.7270/Q2MK6HZ3
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321479 ((6-(2-chlorophenoxy)pyridin-3-yl)(4-isopropylpiper...) Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(Oc2ccccc2Cl)nc1 Show InChI InChI=1S/C19H22ClN3O2/c1-14(2)22-9-11-23(12-10-22)19(24)15-7-8-18(21-13-15)25-17-6-4-3-5-16(17)20/h3-8,13-14H,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM467367 ((R)-N-(1-Acryloylpiperidin-3-yl)-4-oxo-5-(4-phenox...) Show SMILES C=CC(=O)N1CCC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4)c(=O)[nH]c1c23 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01026 BindingDB Entry DOI: 10.7270/Q2MK6HZ3
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254164 (US10112937, Example 44 | US10150765, Example 44 | ...) Show SMILES C[C@H]1N(CCc2c1ncn2-c1ccccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C20H16ClF3N4O/c1-12-18-15(28(11-26-18)16-7-2-3-9-25-16)8-10-27(12)19(29)13-5-4-6-14(17(13)21)20(22,23)24/h2-7,9,11-12H,8,10H2,1H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-(S)-7-(2-chloro-3-(trifluoromethyl)benzyl)-6-methyl-3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one from re...				J Med Chem 59: 8535-48 (2016) Article DOI: 10.1021/acs.jmedchem.6b00989 BindingDB Entry DOI: 10.7270/Q28K7C1M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321475 ((4-ethyl-1,4-diazepan-1-yl)(6-(4-fluorophenoxy)pyr...) Show SMILES CCN1CCCN(CC1)C(=O)c1ccc(Oc2ccc(F)cc2)nc1 Show InChI InChI=1S/C19H22FN3O2/c1-2-22-10-3-11-23(13-12-22)19(24)15-4-9-18(21-14-15)25-17-7-5-16(20)6-8-17/h4-9,14H,2-3,10-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	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 (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	37	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 histamine H3 receptor in rat brain				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))	BDBM50321478 ((6-(2-chlorophenoxy)pyridin-3-yl)(4-cyclopentylpip...) Show SMILES Clc1ccccc1Oc1ccc(cn1)C(=O)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C21H24ClN3O2/c22-18-7-3-4-8-19(18)27-20-10-9-16(15-23-20)21(26)25-13-11-24(12-14-25)17-5-1-2-6-17/h3-4,7-10,15,17H,1-2,5-6,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254166 (US10112937, Example 46 | US10150765, Example 46 | ...) Show SMILES C[C@H]1N(CCc2c1ncn2-c1ccc(F)cc1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C21H16ClF4N3O/c1-12-19-17(29(11-27-19)14-7-5-13(23)6-8-14)9-10-28(12)20(30)15-3-2-4-16(18(15)22)21(24,25)26/h2-8,11-12H,9-10H2,1H3/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research& Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-(S)-7-(2-chloro-3-(trifluoromethyl)benzyl)-6-methyl-3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one from re...				J Med Chem 59: 8535-48 (2016) Article DOI: 10.1021/acs.jmedchem.6b00989 BindingDB Entry DOI: 10.7270/Q28K7C1M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50321489 ((4-cyclobutyl-1,4-diazepan-1-yl)(4-phenoxypyridin-...) Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1cc(Oc2ccccc2)ccn1 Show InChI InChI=1S/C21H25N3O2/c25-21(24-13-5-12-23(14-15-24)17-6-4-7-17)20-16-19(10-11-22-20)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	41	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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