Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'rosauro' and Initial = 'ml'   

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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50454647 (CHEMBL4209700) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccccc3)c12 Show InChI InChI=1S/C19H22N4O/c1-2-3-12-21-18-17-15(22-19(20)23-18)10-7-11-16(17)24-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H3,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50467028 (CHEMBL4281089) Show SMILES CCCCNc1nc(N)nc2CCN(Cc12)C(=O)c1cccs1 Show InChI InChI=1S/C16H21N5OS/c1-2-3-7-18-14-11-10-21(15(22)13-5-4-9-23-13)8-6-12(11)19-16(17)20-14/h4-5,9H,2-3,6-8,10H2,1H3,(H3,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Curated by ChEMBL					Assay Description Displacement of 3H-dofetilide from human ERG				Bioorg Med Chem Lett 28: 3216-3221 (2018) Article DOI: 10.1016/j.bmcl.2018.08.015 BindingDB Entry DOI: 10.7270/Q26Q20Z1
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50454641 (CHEMBL4206363) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12 Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50454640 (CHEMBL4218074) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccccn3)c12 Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)8-6-9-15(16)24-12-13-7-4-5-11-20-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50467029 (CHEMBL4285364) Show SMILES CCCCNc1nc(N)nc2CCN(Cc12)C(=O)c1csc(C)n1 Show InChI InChI=1S/C16H22N6OS/c1-3-4-6-18-14-11-8-22(7-5-12(11)20-16(17)21-14)15(23)13-9-24-10(2)19-13/h9H,3-8H2,1-2H3,(H3,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Curated by ChEMBL					Assay Description Displacement of 3H-dofetilide from human ERG				Bioorg Med Chem Lett 28: 3216-3221 (2018) Article DOI: 10.1016/j.bmcl.2018.08.015 BindingDB Entry DOI: 10.7270/Q26Q20Z1
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50454639 (CHEMBL4208231) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccccc3OC)c12 Show InChI InChI=1S/C20H24N4O2/c1-3-4-12-22-19-18-15(23-20(21)24-19)9-7-11-17(18)26-13-14-8-5-6-10-16(14)25-2/h5-11H,3-4,12-13H2,1-2H3,(H3,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50454646 (CHEMBL4205861) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3nccc(OC)c3OC)c12 Show InChI InChI=1S/C20H25N5O3/c1-4-5-10-23-19-17-13(24-20(21)25-19)7-6-8-15(17)28-12-14-18(27-3)16(26-2)9-11-22-14/h6-9,11H,4-5,10,12H2,1-3H3,(H3,21,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50454637 (CHEMBL4213155) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccc(CO)cc3OC)c12 Show InChI InChI=1S/C21H26N4O3/c1-3-4-10-23-20-19-16(24-21(22)25-20)6-5-7-17(19)28-13-15-9-8-14(12-26)11-18(15)27-2/h5-9,11,26H,3-4,10,12-13H2,1-2H3,(H3,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50454637 (CHEMBL4213155) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccc(CO)cc3OC)c12 Show InChI InChI=1S/C21H26N4O3/c1-3-4-10-23-20-19-16(24-21(22)25-20)6-5-7-17(19)28-13-15-9-8-14(12-26)11-18(15)27-2/h5-9,11,26H,3-4,10,12-13H2,1-2H3,(H3,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50454643 (CHEMBL4218623) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N(C)Cc3ccccc3)c12 Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)24-21(22)25-19)20(27)26(2)14-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H3,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50454647 (CHEMBL4209700) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccccc3)c12 Show InChI InChI=1S/C19H22N4O/c1-2-3-12-21-18-17-15(22-19(20)23-18)10-7-11-16(17)24-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H3,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50454642 (CHEMBL4213687) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NCc3ccccc3)c12 Show InChI InChI=1S/C20H23N5O/c1-2-3-12-22-18-17-15(10-7-11-16(17)24-20(21)25-18)19(26)23-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H,23,26)(H3,21,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50454641 (CHEMBL4206363) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12 Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50467033 (CHEMBL4279547) Show SMILES CCCC[C@@H](CCO)Nc1nc(N)nc2CCN(Cc12)C(=O)c1cccs1 |r| Show InChI InChI=1S/C19H27N5O2S/c1-2-3-5-13(8-10-25)21-17-14-12-24(18(26)16-6-4-11-27-16)9-7-15(14)22-19(20)23-17/h4,6,11,13,25H,2-3,5,7-10,12H2,1H3,(H3,20,21,22,23)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Curated by ChEMBL					Assay Description Displacement of 3H-dofetilide from human ERG				Bioorg Med Chem Lett 28: 3216-3221 (2018) Article DOI: 10.1016/j.bmcl.2018.08.015 BindingDB Entry DOI: 10.7270/Q26Q20Z1
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50467030 (CHEMBL4290212) Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc2CCN(Cc12)C(=O)c1cccs1 |r| Show InChI InChI=1S/C18H25N5O2S/c1-2-4-12(7-9-24)20-16-13-11-23(17(25)15-5-3-10-26-15)8-6-14(13)21-18(19)22-16/h3,5,10,12,24H,2,4,6-9,11H2,1H3,(H3,19,20,21,22)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Curated by ChEMBL					Assay Description Displacement of 3H-dofetilide from human ERG				Bioorg Med Chem Lett 28: 3216-3221 (2018) Article DOI: 10.1016/j.bmcl.2018.08.015 BindingDB Entry DOI: 10.7270/Q26Q20Z1
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50454648 (CHEMBL4210732) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NC)c12 Show InChI InChI=1S/C14H19N5O/c1-3-4-8-17-12-11-9(13(20)16-2)6-5-7-10(11)18-14(15)19-12/h5-7H,3-4,8H2,1-2H3,(H,16,20)(H3,15,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50454643 (CHEMBL4218623) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N(C)Cc3ccccc3)c12 Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)24-21(22)25-19)20(27)26(2)14-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H3,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50454646 (CHEMBL4205861) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3nccc(OC)c3OC)c12 Show InChI InChI=1S/C20H25N5O3/c1-4-5-10-23-19-17-13(24-20(21)25-19)7-6-8-15(17)28-12-14-18(27-3)16(26-2)9-11-22-14/h6-9,11H,4-5,10,12H2,1-3H3,(H3,21,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50454636 (CHEMBL4209289) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NC(C)C)c12 Show InChI InChI=1S/C16H23N5O/c1-4-5-9-18-14-13-11(15(22)19-10(2)3)7-6-8-12(13)20-16(17)21-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H3,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50454637 (CHEMBL4213155) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccc(CO)cc3OC)c12 Show InChI InChI=1S/C21H26N4O3/c1-3-4-10-23-20-19-16(24-21(22)25-20)6-5-7-17(19)28-13-15-9-8-14(12-26)11-18(15)27-2/h5-9,11,26H,3-4,10,12-13H2,1-2H3,(H3,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50454636 (CHEMBL4209289) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NC(C)C)c12 Show InChI InChI=1S/C16H23N5O/c1-4-5-9-18-14-13-11(15(22)19-10(2)3)7-6-8-12(13)20-16(17)21-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H3,17,18,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50454638 (CHEMBL4207296) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50454639 (CHEMBL4208231) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccccc3OC)c12 Show InChI InChI=1S/C20H24N4O2/c1-3-4-12-22-19-18-15(23-20(21)24-19)9-7-11-17(18)26-13-14-8-5-6-10-16(14)25-2/h5-11H,3-4,12-13H2,1-2H3,(H3,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50454640 (CHEMBL4218074) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccccn3)c12 Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)8-6-9-15(16)24-12-13-7-4-5-11-20-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50454642 (CHEMBL4213687) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NCc3ccccc3)c12 Show InChI InChI=1S/C20H23N5O/c1-2-3-12-22-18-17-15(10-7-11-16(17)24-20(21)25-18)19(26)23-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H,23,26)(H3,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50454644 (CHEMBL4202404) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50454637 (CHEMBL4213155) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccc(CO)cc3OC)c12 Show InChI InChI=1S/C21H26N4O3/c1-3-4-10-23-20-19-16(24-21(22)25-20)6-5-7-17(19)28-13-15-9-8-14(12-26)11-18(15)27-2/h5-9,11,26H,3-4,10,12-13H2,1-2H3,(H3,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50454642 (CHEMBL4213687) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NCc3ccccc3)c12 Show InChI InChI=1S/C20H23N5O/c1-2-3-12-22-18-17-15(10-7-11-16(17)24-20(21)25-18)19(26)23-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H,23,26)(H3,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50454643 (CHEMBL4218623) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N(C)Cc3ccccc3)c12 Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)24-21(22)25-19)20(27)26(2)14-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H3,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50454647 (CHEMBL4209700) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccccc3)c12 Show InChI InChI=1S/C19H22N4O/c1-2-3-12-21-18-17-15(22-19(20)23-18)10-7-11-16(17)24-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H3,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50454639 (CHEMBL4208231) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccccc3OC)c12 Show InChI InChI=1S/C20H24N4O2/c1-3-4-12-22-19-18-15(23-20(21)24-19)9-7-11-17(18)26-13-14-8-5-6-10-16(14)25-2/h5-11H,3-4,12-13H2,1-2H3,(H3,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50454641 (CHEMBL4206363) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12 Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50454648 (CHEMBL4210732) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NC)c12 Show InChI InChI=1S/C14H19N5O/c1-3-4-8-17-12-11-9(13(20)16-2)6-5-7-10(11)18-14(15)19-12/h5-7H,3-4,8H2,1-2H3,(H,16,20)(H3,15,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50454636 (CHEMBL4209289) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NC(C)C)c12 Show InChI InChI=1S/C16H23N5O/c1-4-5-9-18-14-13-11(15(22)19-10(2)3)7-6-8-12(13)20-16(17)21-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H3,17,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50454638 (CHEMBL4207296) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50454647 (CHEMBL4209700) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccccc3)c12 Show InChI InChI=1S/C19H22N4O/c1-2-3-12-21-18-17-15(22-19(20)23-18)10-7-11-16(17)24-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H3,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50454637 (CHEMBL4213155) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccc(CO)cc3OC)c12 Show InChI InChI=1S/C21H26N4O3/c1-3-4-10-23-20-19-16(24-21(22)25-20)6-5-7-17(19)28-13-15-9-8-14(12-26)11-18(15)27-2/h5-9,11,26H,3-4,10,12-13H2,1-2H3,(H3,22,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50454641 (CHEMBL4206363) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12 Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50454646 (CHEMBL4205861) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3nccc(OC)c3OC)c12 Show InChI InChI=1S/C20H25N5O3/c1-4-5-10-23-19-17-13(24-20(21)25-19)7-6-8-15(17)28-12-14-18(27-3)16(26-2)9-11-22-14/h6-9,11H,4-5,10,12H2,1-3H3,(H3,21,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50454642 (CHEMBL4213687) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NCc3ccccc3)c12 Show InChI InChI=1S/C20H23N5O/c1-2-3-12-22-18-17-15(10-7-11-16(17)24-20(21)25-18)19(26)23-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H,23,26)(H3,21,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50454643 (CHEMBL4218623) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N(C)Cc3ccccc3)c12 Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)24-21(22)25-19)20(27)26(2)14-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H3,22,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50454638 (CHEMBL4207296) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50454641 (CHEMBL4206363) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12 Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50454642 (CHEMBL4213687) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NCc3ccccc3)c12 Show InChI InChI=1S/C20H23N5O/c1-2-3-12-22-18-17-15(10-7-11-16(17)24-20(21)25-18)19(26)23-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H,23,26)(H3,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50454643 (CHEMBL4218623) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N(C)Cc3ccccc3)c12 Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)24-21(22)25-19)20(27)26(2)14-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H3,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50454640 (CHEMBL4218074) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3ccccn3)c12 Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)8-6-9-15(16)24-12-13-7-4-5-11-20-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50454646 (CHEMBL4205861) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3nccc(OC)c3OC)c12 Show InChI InChI=1S/C20H25N5O3/c1-4-5-10-23-19-17-13(24-20(21)25-19)7-6-8-15(17)28-12-14-18(27-3)16(26-2)9-11-22-14/h6-9,11H,4-5,10,12H2,1-3H3,(H3,21,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50454636 (CHEMBL4209289) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)NC(C)C)c12 Show InChI InChI=1S/C16H23N5O/c1-4-5-9-18-14-13-11(15(22)19-10(2)3)7-6-8-12(13)20-16(17)21-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H3,17,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50454644 (CHEMBL4202404) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50454638 (CHEMBL4207296) Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair

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