Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50039534   

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))	BDBM50379619 (CHEMBL2013052) Show SMILES CC(C)C(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C26H38N2O3/c1-19(2)25(29)28-14-9-22(10-15-28)30-23-6-7-24-20(18-23)8-11-26(31-24)12-16-27(17-13-26)21-4-3-5-21/h6-7,18-19,21-22H,3-5,8-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50379614 (CHEMBL2013048) Show SMILES C1CC(C1)N1CCC2(CC1)CCc1cc(OC3CCNCC3)ccc1O2 Show InChI InChI=1S/C22H32N2O2/c1-2-18(3-1)24-14-10-22(11-15-24)9-6-17-16-20(4-5-21(17)26-22)25-19-7-12-23-13-8-19/h4-5,16,18-19,23H,1-3,6-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50379618 (CHEMBL2013051) Show SMILES CC(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C24H34N2O3/c1-18(27)25-13-8-21(9-14-25)28-22-5-6-23-19(17-22)7-10-24(29-23)11-15-26(16-12-24)20-3-2-4-20/h5-6,17,20-21H,2-4,7-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50379619 (CHEMBL2013052) Show SMILES CC(C)C(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C26H38N2O3/c1-19(2)25(29)28-14-9-22(10-15-28)30-23-6-7-24-20(18-23)8-11-26(31-24)12-16-27(17-13-26)21-4-3-5-21/h6-7,18-19,21-22H,3-5,8-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	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]N-alpha-methylhistamine from rat cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50379614 (CHEMBL2013048) Show SMILES C1CC(C1)N1CCC2(CC1)CCc1cc(OC3CCNCC3)ccc1O2 Show InChI InChI=1S/C22H32N2O2/c1-2-18(3-1)24-14-10-22(11-15-24)9-6-17-16-20(4-5-21(17)26-22)25-19-7-12-23-13-8-19/h4-5,16,18-19,23H,1-3,6-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	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]N-alpha-methylhistamine from rat cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50379620 (CHEMBL2013053) Show SMILES O=C(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C26H36N2O3/c29-25(19-4-5-19)28-14-9-22(10-15-28)30-23-6-7-24-20(18-23)8-11-26(31-24)12-16-27(17-13-26)21-2-1-3-21/h6-7,18-19,21-22H,1-5,8-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	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]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50379616 (CHEMBL2013049) Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C25H38N2O4S/c1-19(2)32(28,29)27-14-9-22(10-15-27)30-23-6-7-24-20(18-23)8-11-25(31-24)12-16-26(17-13-25)21-4-3-5-21/h6-7,18-19,21-22H,3-5,8-17H2,1-2H3	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
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50379615 (CHEMBL2013044) Show SMILES CCS(=O)(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C24H36N2O4S/c1-2-31(27,28)26-14-9-21(10-15-26)29-22-6-7-23-19(18-22)8-11-24(30-23)12-16-25(17-13-24)20-4-3-5-20/h6-7,18,20-21H,2-5,8-17H2,1H3	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
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50379611 (CHEMBL2013045) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C23H34N2O4S/c1-30(26,27)25-13-8-20(9-14-25)28-21-5-6-22-18(17-21)7-10-23(29-22)11-15-24(16-12-23)19-3-2-4-19/h5-6,17,19-20H,2-4,7-16H2,1H3	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
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50379617 (CHEMBL2013050) Show SMILES O=S(=O)(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C25H36N2O4S/c28-32(29,23-5-6-23)27-14-9-21(10-15-27)30-22-4-7-24-19(18-22)8-11-25(31-24)12-16-26(17-13-25)20-2-1-3-20/h4,7,18,20-21,23H,1-3,5-6,8-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50379618 (CHEMBL2013051) Show SMILES CC(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C24H34N2O3/c1-18(27)25-13-8-21(9-14-25)28-22-5-6-23-19(17-22)7-10-24(29-23)11-15-26(16-12-24)20-3-2-4-20/h5-6,17,20-21H,2-4,7-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from rat cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50379620 (CHEMBL2013053) Show SMILES O=C(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C26H36N2O3/c29-25(19-4-5-19)28-14-9-22(10-15-28)30-23-6-7-24-20(18-23)8-11-26(31-24)12-16-27(17-13-26)21-2-1-3-21/h6-7,18-19,21-22H,1-5,8-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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]N-alpha-methylhistamine from rat cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50379611 (CHEMBL2013045) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C23H34N2O4S/c1-30(26,27)25-13-8-20(9-14-25)28-21-5-6-22-18(17-21)7-10-23(29-22)11-15-24(16-12-23)19-3-2-4-19/h5-6,17,19-20H,2-4,7-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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]N-alpha-methylhistamine from rat cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50379617 (CHEMBL2013050) Show SMILES O=S(=O)(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C25H36N2O4S/c28-32(29,23-5-6-23)27-14-9-21(10-15-27)30-22-4-7-24-19(18-22)8-11-25(31-24)12-16-26(17-13-25)20-2-1-3-20/h4,7,18,20-21,23H,1-3,5-6,8-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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]N-alpha-methylhistamine from rat cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50379615 (CHEMBL2013044) Show SMILES CCS(=O)(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C24H36N2O4S/c1-2-31(27,28)26-14-9-21(10-15-26)29-22-6-7-23-19(18-22)8-11-24(30-23)12-16-25(17-13-24)20-4-3-5-20/h6-7,18,20-21H,2-5,8-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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]N-alpha-methylhistamine from rat cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50379616 (CHEMBL2013049) Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C25H38N2O4S/c1-19(2)32(28,29)27-14-9-22(10-15-27)30-23-6-7-24-20(18-23)8-11-25(31-24)12-16-26(17-13-25)21-4-3-5-21/h6-7,18-19,21-22H,3-5,8-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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]N-alpha-methylhistamine from rat cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50379613 (CHEMBL2013047) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C27H40N2O4/c1-26(2,3)33-25(30)29-15-10-22(11-16-29)31-23-7-8-24-20(19-23)9-12-27(32-24)13-17-28(18-14-27)21-5-4-6-21/h7-8,19,21-22H,4-6,9-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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]N-alpha-methylhistamine from rat cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50379613 (CHEMBL2013047) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C27H40N2O4/c1-26(2,3)33-25(30)29-15-10-22(11-16-29)31-23-7-8-24-20(19-23)9-12-27(32-24)13-17-28(18-14-27)21-5-4-6-21/h7-8,19,21-22H,4-6,9-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	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]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50379612 (CHEMBL2013046) Show SMILES Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C17H23NO2/c19-15-4-5-16-13(12-15)6-7-17(20-16)8-10-18(11-9-17)14-2-1-3-14/h4-5,12,14,19H,1-3,6-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	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]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50379612 (CHEMBL2013046) Show SMILES Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C17H23NO2/c19-15-4-5-16-13(12-15)6-7-17(20-16)8-10-18(11-9-17)14-2-1-3-14/h4-5,12,14,19H,1-3,6-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	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]N-alpha-methylhistamine from rat cloned histamine H3 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50379620 (CHEMBL2013053) Show SMILES O=C(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C26H36N2O3/c29-25(19-4-5-19)28-14-9-22(10-15-28)30-23-6-7-24-20(18-23)8-11-26(31-24)12-16-27(17-13-26)21-2-1-3-21/h6-7,18-19,21-22H,1-5,8-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50379611 (CHEMBL2013045) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C23H34N2O4S/c1-30(26,27)25-13-8-20(9-14-25)28-21-5-6-22-18(17-21)7-10-23(29-22)11-15-24(16-12-23)19-3-2-4-19/h5-6,17,19-20H,2-4,7-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50379617 (CHEMBL2013050) Show SMILES O=S(=O)(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C25H36N2O4S/c28-32(29,23-5-6-23)27-14-9-21(10-15-27)30-22-4-7-24-19(18-22)8-11-25(31-24)12-16-26(17-13-25)20-2-1-3-20/h4,7,18,20-21,23H,1-3,5-6,8-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50379619 (CHEMBL2013052) Show SMILES CC(C)C(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C26H38N2O3/c1-19(2)25(29)28-14-9-22(10-15-28)30-23-6-7-24-20(18-23)8-11-26(31-24)12-16-27(17-13-26)21-4-3-5-21/h6-7,18-19,21-22H,3-5,8-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50379619 (CHEMBL2013052) Show SMILES CC(C)C(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C26H38N2O3/c1-19(2)25(29)28-14-9-22(10-15-28)30-23-6-7-24-20(18-23)8-11-26(31-24)12-16-27(17-13-26)21-4-3-5-21/h6-7,18-19,21-22H,3-5,8-17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50379618 (CHEMBL2013051) Show SMILES CC(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C24H34N2O3/c1-18(27)25-13-8-21(9-14-25)28-22-5-6-23-19(17-22)7-10-24(29-23)11-15-26(16-12-24)20-3-2-4-20/h5-6,17,20-21H,2-4,7-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50379617 (CHEMBL2013050) Show SMILES O=S(=O)(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C25H36N2O4S/c28-32(29,23-5-6-23)27-14-9-21(10-15-27)30-22-4-7-24-19(18-22)8-11-25(31-24)12-16-26(17-13-25)20-2-1-3-20/h4,7,18,20-21,23H,1-3,5-6,8-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50379611 (CHEMBL2013045) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C23H34N2O4S/c1-30(26,27)25-13-8-20(9-14-25)28-21-5-6-22-18(17-21)7-10-23(29-22)11-15-24(16-12-23)19-3-2-4-19/h5-6,17,19-20H,2-4,7-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50379620 (CHEMBL2013053) Show SMILES O=C(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C26H36N2O3/c29-25(19-4-5-19)28-14-9-22(10-15-28)30-23-6-7-24-20(18-23)8-11-26(31-24)12-16-27(17-13-26)21-2-1-3-21/h6-7,18-19,21-22H,1-5,8-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50379619 (CHEMBL2013052) Show SMILES CC(C)C(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C26H38N2O3/c1-19(2)25(29)28-14-9-22(10-15-28)30-23-6-7-24-20(18-23)8-11-26(31-24)12-16-27(17-13-26)21-4-3-5-21/h6-7,18-19,21-22H,3-5,8-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50379618 (CHEMBL2013051) Show SMILES CC(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C24H34N2O3/c1-18(27)25-13-8-21(9-14-25)28-22-5-6-23-19(17-22)7-10-24(29-23)11-15-26(16-12-24)20-3-2-4-20/h5-6,17,20-21H,2-4,7-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50379617 (CHEMBL2013050) Show SMILES O=S(=O)(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C25H36N2O4S/c28-32(29,23-5-6-23)27-14-9-21(10-15-27)30-22-4-7-24-19(18-22)8-11-25(31-24)12-16-26(17-13-25)20-2-1-3-20/h4,7,18,20-21,23H,1-3,5-6,8-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50379611 (CHEMBL2013045) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C23H34N2O4S/c1-30(26,27)25-13-8-20(9-14-25)28-21-5-6-22-18(17-21)7-10-23(29-22)11-15-24(16-12-23)19-3-2-4-19/h5-6,17,19-20H,2-4,7-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50379620 (CHEMBL2013053) Show SMILES O=C(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C26H36N2O3/c29-25(19-4-5-19)28-14-9-22(10-15-28)30-23-6-7-24-20(18-23)8-11-26(31-24)12-16-27(17-13-26)21-2-1-3-21/h6-7,18-19,21-22H,1-5,8-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50379619 (CHEMBL2013052) Show SMILES CC(C)C(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C26H38N2O3/c1-19(2)25(29)28-14-9-22(10-15-28)30-23-6-7-24-20(18-23)8-11-26(31-24)12-16-27(17-13-26)21-4-3-5-21/h6-7,18-19,21-22H,3-5,8-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50379618 (CHEMBL2013051) Show SMILES CC(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C24H34N2O3/c1-18(27)25-13-8-21(9-14-25)28-22-5-6-23-19(17-22)7-10-24(29-23)11-15-26(16-12-24)20-3-2-4-20/h5-6,17,20-21H,2-4,7-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50379617 (CHEMBL2013050) Show SMILES O=S(=O)(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C25H36N2O4S/c28-32(29,23-5-6-23)27-14-9-21(10-15-27)30-22-4-7-24-19(18-22)8-11-25(31-24)12-16-26(17-13-25)20-2-1-3-20/h4,7,18,20-21,23H,1-3,5-6,8-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50379611 (CHEMBL2013045) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C23H34N2O4S/c1-30(26,27)25-13-8-20(9-14-25)28-21-5-6-22-18(17-21)7-10-23(29-22)11-15-24(16-12-23)19-3-2-4-19/h5-6,17,19-20H,2-4,7-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50379620 (CHEMBL2013053) Show SMILES O=C(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C26H36N2O3/c29-25(19-4-5-19)28-14-9-22(10-15-28)30-23-6-7-24-20(18-23)8-11-26(31-24)12-16-27(17-13-26)21-2-1-3-21/h6-7,18-19,21-22H,1-5,8-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50379619 (CHEMBL2013052) Show SMILES CC(C)C(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C26H38N2O3/c1-19(2)25(29)28-14-9-22(10-15-28)30-23-6-7-24-20(18-23)8-11-26(31-24)12-16-27(17-13-26)21-4-3-5-21/h6-7,18-19,21-22H,3-5,8-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50379618 (CHEMBL2013051) Show SMILES CC(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C24H34N2O3/c1-18(27)25-13-8-21(9-14-25)28-22-5-6-23-19(17-22)7-10-24(29-23)11-15-26(16-12-24)20-3-2-4-20/h5-6,17,20-21H,2-4,7-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50379620 (CHEMBL2013053) Show SMILES O=C(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C26H36N2O3/c29-25(19-4-5-19)28-14-9-22(10-15-28)30-23-6-7-24-20(18-23)8-11-26(31-24)12-16-27(17-13-26)21-2-1-3-21/h6-7,18-19,21-22H,1-5,8-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50379617 (CHEMBL2013050) Show SMILES O=S(=O)(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C25H36N2O4S/c28-32(29,23-5-6-23)27-14-9-21(10-15-27)30-22-4-7-24-19(18-22)8-11-25(31-24)12-16-26(17-13-25)20-2-1-3-20/h4,7,18,20-21,23H,1-3,5-6,8-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50379611 (CHEMBL2013045) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C23H34N2O4S/c1-30(26,27)25-13-8-20(9-14-25)28-21-5-6-22-18(17-21)7-10-23(29-22)11-15-24(16-12-23)19-3-2-4-19/h5-6,17,19-20H,2-4,7-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50379618 (CHEMBL2013051) Show SMILES CC(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C24H34N2O3/c1-18(27)25-13-8-21(9-14-25)28-22-5-6-23-19(17-22)7-10-24(29-23)11-15-26(16-12-24)20-3-2-4-20/h5-6,17,20-21H,2-4,7-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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				Bioorg Med Chem Lett 22: 2151-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.139 BindingDB Entry DOI: 10.7270/Q2736RX9
					More data for this Ligand-Target Pair