Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50039467   

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))	BDBM50350022 (CHEMBL1813057) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1	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
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50262939 (2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...) Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human H3 receptor				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50350030 (CHEMBL1813060) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C24H27N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-20(11-13-22)23-14-15-24(28)27(25-23)21-8-3-2-4-9-21/h2-4,8-15,19H,5-7,16-18H2,1H3/t19-/m1/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
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Cephalon, Inc. Curated by ChEMBL					Assay Description Antagonist activity at histamine H3 receptor in rat cortical membrane				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50350023 (CHEMBL1813065) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-9-21(14)10-3-11-23-17-7-5-15(6-8-17)16-12-18(22)20-19-13-16/h5-8,12-14H,2-4,9-11H2,1H3,(H,20,22)/t14-/m1/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
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50350028 (CHEMBL1813058) Show SMILES CCn1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O2/c1-3-23-20(24)12-11-19(21-23)17-7-9-18(10-8-17)25-15-5-14-22-13-4-6-16(22)2/h7-12,16H,3-6,13-15H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50350029 (CHEMBL1813059) Show SMILES CC(C)n1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C21H29N3O2/c1-16(2)24-21(25)12-11-20(22-24)18-7-9-19(10-8-18)26-15-5-14-23-13-4-6-17(23)3/h7-12,16-17H,4-6,13-15H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350022 (CHEMBL1813057) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50350031 (CHEMBL1813061) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(Cc2ccccc2)n1 |r| Show InChI InChI=1S/C25H29N3O2/c1-20-7-5-16-27(20)17-6-18-30-23-12-10-22(11-13-23)24-14-15-25(29)28(26-24)19-21-8-3-2-4-9-21/h2-4,8-15,20H,5-7,16-19H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350029 (CHEMBL1813059) Show SMILES CC(C)n1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C21H29N3O2/c1-16(2)24-21(25)12-11-20(22-24)18-7-9-19(10-8-18)26-15-5-14-23-13-4-6-17(23)3/h7-12,16-17H,4-6,13-15H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350030 (CHEMBL1813060) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C24H27N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-20(11-13-22)23-14-15-24(28)27(25-23)21-8-3-2-4-9-21/h2-4,8-15,19H,5-7,16-18H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350023 (CHEMBL1813065) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-9-21(14)10-3-11-23-17-7-5-15(6-8-17)16-12-18(22)20-19-13-16/h5-8,12-14H,2-4,9-11H2,1H3,(H,20,22)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50350026 (CHEMBL1813055) Show SMILES O=c1ccc(n[nH]1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C18H23N3O2/c22-18-10-9-17(19-20-18)15-5-7-16(8-6-15)23-14-4-13-21-11-2-1-3-12-21/h5-10H,1-4,11-14H2,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50139391 ((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...) Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50350033 (CHEMBL1813063) Show SMILES Cn1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2CO)cc1 |r| Show InChI InChI=1S/C19H25N3O3/c1-21-19(24)10-9-18(20-21)15-5-7-17(8-6-15)25-13-3-12-22-11-2-4-16(22)14-23/h5-10,16,23H,2-4,11-14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350028 (CHEMBL1813058) Show SMILES CCn1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O2/c1-3-23-20(24)12-11-19(21-23)17-7-9-18(10-8-17)25-15-5-14-22-13-4-6-16(22)2/h7-12,16H,3-6,13-15H2,1-2H3/t16-/m1/s1	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
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350031 (CHEMBL1813061) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(Cc2ccccc2)n1 |r| Show InChI InChI=1S/C25H29N3O2/c1-20-7-5-16-27(20)17-6-18-30-23-12-10-22(11-13-23)24-14-15-25(29)28(26-24)19-21-8-3-2-4-9-21/h2-4,8-15,20H,5-7,16-19H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50350024 (CHEMBL1813053) Show SMILES C[C@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m0/s1	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
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50350025 (CHEMBL1813054) Show SMILES O=c1ccc(n[nH]1)-c1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C17H21N3O2/c21-17-9-8-16(18-19-17)14-4-6-15(7-5-14)22-13-3-12-20-10-1-2-11-20/h4-9H,1-3,10-13H2,(H,19,21)	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
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50350032 (CHEMBL1813062) Show SMILES Cn1nc(ccc1=O)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C19H25N3O2/c1-21-19(23)11-10-18(20-21)16-6-8-17(9-7-16)24-15-5-14-22-12-3-2-4-13-22/h6-11H,2-5,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50139391 ((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...) Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350026 (CHEMBL1813055) Show SMILES O=c1ccc(n[nH]1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C18H23N3O2/c22-18-10-9-17(19-20-18)15-5-7-16(8-6-15)23-14-4-13-21-11-2-1-3-12-21/h5-10H,1-4,11-14H2,(H,20,22)	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
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350025 (CHEMBL1813054) Show SMILES O=c1ccc(n[nH]1)-c1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C17H21N3O2/c21-17-9-8-16(18-19-17)14-4-6-15(7-5-14)22-13-3-12-20-10-1-2-11-20/h4-9H,1-3,10-13H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350033 (CHEMBL1813063) Show SMILES Cn1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2CO)cc1 |r| Show InChI InChI=1S/C19H25N3O3/c1-21-19(24)10-9-18(20-21)15-5-7-17(8-6-15)25-13-3-12-22-11-2-4-16(22)14-23/h5-10,16,23H,2-4,11-14H2,1H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350024 (CHEMBL1813053) Show SMILES C[C@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50350035 (CHEMBL1813066) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-n1ncccc1=O |r| Show InChI InChI=1S/C18H23N3O2/c1-15-5-3-12-20(15)13-4-14-23-17-9-7-16(8-10-17)21-18(22)6-2-11-19-21/h2,6-11,15H,3-5,12-14H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350032 (CHEMBL1813062) Show SMILES Cn1nc(ccc1=O)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C19H25N3O2/c1-21-19(23)11-10-18(20-21)16-6-8-17(9-7-16)24-15-5-14-22-12-3-2-4-13-22/h6-11H,2-5,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50350034 (CHEMBL1813064) Show SMILES Cn1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C19H25N3O3/c1-21-19(24)10-9-18(20-21)15-5-7-17(8-6-15)25-13-3-12-22-11-2-4-16(22)14-23/h5-10,16,23H,2-4,11-14H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350035 (CHEMBL1813066) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-n1ncccc1=O |r| Show InChI InChI=1S/C18H23N3O2/c1-15-5-3-12-20(15)13-4-14-23-17-9-7-16(8-10-17)21-18(22)6-2-11-19-21/h2,6-11,15H,3-5,12-14H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350034 (CHEMBL1813064) Show SMILES Cn1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C19H25N3O3/c1-21-19(24)10-9-18(20-21)15-5-7-17(8-6-15)25-13-3-12-22-11-2-4-16(22)14-23/h5-10,16,23H,2-4,11-14H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	427	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50350027 (CHEMBL1813056) Show SMILES O=c1ccc(n[nH]1)-c1ccc(OCCCN2CCOCC2)cc1 Show InChI InChI=1S/C17H21N3O3/c21-17-7-6-16(18-19-17)14-2-4-15(5-3-14)23-11-1-8-20-9-12-22-13-10-20/h2-7H,1,8-13H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	767	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50350027 (CHEMBL1813056) Show SMILES O=c1ccc(n[nH]1)-c1ccc(OCCCN2CCOCC2)cc1 Show InChI InChI=1S/C17H21N3O3/c21-17-7-6-16(18-19-17)14-2-4-15(5-3-14)23-11-1-8-20-9-12-22-13-10-20/h2-7H,1,8-13H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	822	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of muscarinic M2 receptor				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of adrenergic alpha 1A receptor				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of norepinephrine transporter				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of dopamine transporter				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human dopamine transporter				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50350023 (CHEMBL1813065) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-9-21(14)10-3-11-23-17-7-5-15(6-8-17)16-12-18(22)20-19-13-16/h5-8,12-14H,2-4,9-11H2,1H3,(H,20,22)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human ERG channel expressed in human HEK 293 cells by patch clamp assay				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50350022 (CHEMBL1813057) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human ERG channel expressed in human HEK 293 cells by patch clamp assay				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human ERG channel expressed in human HEK 293 cells by patch clamp assay				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human norepinephrine transporter				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50350021 (CHEMBL1813067) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r| Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50350022 (CHEMBL1813057) Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r| Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine induced [35S]GTPgammaS binding				J Med Chem 54: 4781-92 (2011) Article DOI: 10.1021/jm200401v BindingDB Entry DOI: 10.7270/Q2W66MRB
					More data for this Ligand-Target Pair

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