Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'fitzgerald' and Initial = 'mm'   

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 2C19 (Homo sapiens (Human))	BDBM50301852 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(pyri...) Show SMILES CC1(CC(=O)NCc2ccncc2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C17H24N2O3/c1-16(13-17(22-21-16)7-3-2-4-8-17)11-15(20)19-12-14-5-9-18-10-6-14/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301837 (CHEMBL567374 | tert-butyl 3-(2-(2-(3-methyl-1,2-di...) Show SMILES CC(C)(C)OC(=O)Nc1cccc(CCNC(=O)CC2(C)CC3(CCCCC3)OO2)c1 Show InChI InChI=1S/C24H36N2O5/c1-22(2,3)29-21(28)26-19-10-8-9-18(15-19)11-14-25-20(27)16-23(4)17-24(31-30-23)12-6-5-7-13-24/h8-10,15H,5-7,11-14,16-17H2,1-4H3,(H,25,27)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50245848 (CHEMBL462360 | N-(2-(7-chloroquinolin-4-ylamino)et...) Show SMILES CC1(CC(=O)NCCNc2ccnc3cc(Cl)ccc23)CC2(CCCCC2)OO1 Show InChI InChI=1S/C22H28ClN3O3/c1-21(15-22(29-28-21)8-3-2-4-9-22)14-20(27)26-12-11-25-18-7-10-24-19-13-16(23)5-6-17(18)19/h5-7,10,13H,2-4,8-9,11-12,14-15H2,1H3,(H,24,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301847 (CHEMBL565360 | N-(2-(2-(hydroxymethyl)phenylthio)b...) Show SMILES CC1(CC(=O)NCc2ccccc2Sc2ccccc2CO)CC2(CCCCC2)OO1 Show InChI InChI=1S/C25H31NO4S/c1-24(18-25(30-29-24)13-7-2-8-14-25)15-23(28)26-16-19-9-3-5-11-21(19)31-22-12-6-4-10-20(22)17-27/h3-6,9-12,27H,2,7-8,13-18H2,1H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301830 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3-(t...) Show SMILES CC1(CC(=O)NCc2cccc(c2)C(F)(F)F)CC2(CCCCC2)OO1 Show InChI InChI=1S/C19H24F3NO3/c1-17(13-18(26-25-17)8-3-2-4-9-18)11-16(24)23-12-14-6-5-7-15(10-14)19(20,21)22/h5-7,10H,2-4,8-9,11-13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301845 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(2-(p...) Show SMILES CC1(CC(=O)NCc2ccccc2N2CCCCC2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C23H34N2O3/c1-22(18-23(28-27-22)12-6-2-7-13-23)16-21(26)24-17-19-10-4-5-11-20(19)25-14-8-3-9-15-25/h4-5,10-11H,2-3,6-9,12-18H2,1H3,(H,24,26)	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301828 (CHEMBL579199 | N-(3,5-dimethoxybenzyl)-2-(3-methyl...) Show SMILES COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1 Show InChI InChI=1S/C20H29NO5/c1-19(14-20(26-25-19)7-5-4-6-8-20)12-18(22)21-13-15-9-16(23-2)11-17(10-15)24-3/h9-11H,4-8,12-14H2,1-3H3,(H,21,22)	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301835 (CHEMBL572184 | N-(3-bromobenzyl)-2-(3-methyl-1,2-d...) Show SMILES CC1(CC(=O)NCc2cccc(Br)c2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C18H24BrNO3/c1-17(13-18(23-22-17)8-3-2-4-9-18)11-16(21)20-12-14-6-5-7-15(19)10-14/h5-7,10H,2-4,8-9,11-13H2,1H3,(H,20,21)	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301829 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3,4,...) Show SMILES COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1OC Show InChI InChI=1S/C21H31NO6/c1-20(14-21(28-27-20)8-6-5-7-9-21)12-18(23)22-13-15-10-16(24-2)19(26-4)17(11-15)25-3/h10-11H,5-9,12-14H2,1-4H3,(H,22,23)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301840 (CHEMBL567376 | N-(2-aminobenzyl)-2-(3-methyl-1,2-d...) Show SMILES CC1(CC(=O)NCc2ccccc2N)CC2(CCCCC2)OO1 Show InChI InChI=1S/C18H26N2O3/c1-17(13-18(23-22-17)9-5-2-6-10-18)11-16(21)20-12-14-7-3-4-8-15(14)19/h3-4,7-8H,2,5-6,9-13,19H2,1H3,(H,20,21)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301828 (CHEMBL579199 | N-(3,5-dimethoxybenzyl)-2-(3-methyl...) Show SMILES COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1 Show InChI InChI=1S/C20H29NO5/c1-19(14-20(26-25-19)7-5-4-6-8-20)12-18(22)21-13-15-9-16(23-2)11-17(10-15)24-3/h9-11H,4-8,12-14H2,1-3H3,(H,21,22)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301834 (CHEMBL577694 | N-(3-chlorobenzyl)-2-(3-methyl-1,2-...) Show SMILES CC1(CC(=O)NCc2cccc(Cl)c2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C18H24ClNO3/c1-17(13-18(23-22-17)8-3-2-4-9-18)11-16(21)20-12-14-6-5-7-15(19)10-14/h5-7,10H,2-4,8-9,11-13H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301845 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(2-(p...) Show SMILES CC1(CC(=O)NCc2ccccc2N2CCCCC2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C23H34N2O3/c1-22(18-23(28-27-22)12-6-2-7-13-23)16-21(26)24-17-19-10-4-5-11-20(19)25-14-8-3-9-15-25/h4-5,10-11H,2-3,6-9,12-18H2,1H3,(H,24,26)	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	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50301847 (CHEMBL565360 | N-(2-(2-(hydroxymethyl)phenylthio)b...) Show SMILES CC1(CC(=O)NCc2ccccc2Sc2ccccc2CO)CC2(CCCCC2)OO1 Show InChI InChI=1S/C25H31NO4S/c1-24(18-25(30-29-24)13-7-2-8-14-25)15-23(28)26-16-19-9-3-5-11-21(19)31-22-12-6-4-10-20(22)17-27/h3-6,9-12,27H,2,7-8,13-18H2,1H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301841 (CHEMBL578588 | N-(4-(dimethylamino)benzyl)-2-(3-me...) Show SMILES CN(C)c1ccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc1 Show InChI InChI=1S/C20H30N2O3/c1-19(15-20(25-24-19)11-5-4-6-12-20)13-18(23)21-14-16-7-9-17(10-8-16)22(2)3/h7-10H,4-6,11-15H2,1-3H3,(H,21,23)	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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301827 (CHEMBL578968 | N-(2-ethoxybenzyl)-2-(3-methyl-1,2-...) Show SMILES CCOc1ccccc1CNC(=O)CC1(C)CC2(CCCCC2)OO1 Show InChI InChI=1S/C20H29NO4/c1-3-23-17-10-6-5-9-16(17)14-21-18(22)13-19(2)15-20(25-24-19)11-7-4-8-12-20/h5-6,9-10H,3-4,7-8,11-15H2,1-2H3,(H,21,22)	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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301848 (CHEMBL584886 | N-((2,3-dihydrobenzofuran-6-yl)meth...) Show SMILES CC1(CC(=O)NCc2ccc3CCOc3c2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C20H27NO4/c1-19(14-20(25-24-19)8-3-2-4-9-20)12-18(22)21-13-15-5-6-16-7-10-23-17(16)11-15/h5-6,11H,2-4,7-10,12-14H2,1H3,(H,21,22)	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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301826 (CHEMBL565361 | N-(3-methoxybenzyl)-2-(3-methyl-1,2...) Show SMILES COc1cccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)c1 Show InChI InChI=1S/C19H27NO4/c1-18(14-19(24-23-18)9-4-3-5-10-19)12-17(21)20-13-15-7-6-8-16(11-15)22-2/h6-8,11H,3-5,9-10,12-14H2,1-2H3,(H,20,21)	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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301836 (CHEMBL565362 | N-(4-bromo-2-fluorobenzyl)-2-(3-met...) Show SMILES CC1(CC(=O)NCc2ccc(Br)cc2F)CC2(CCCCC2)OO1 Show InChI InChI=1S/C18H23BrFNO3/c1-17(12-18(24-23-17)7-3-2-4-8-18)10-16(22)21-11-13-5-6-14(19)9-15(13)20/h5-6,9H,2-4,7-8,10-12H2,1H3,(H,21,22)	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	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301847 (CHEMBL565360 | N-(2-(2-(hydroxymethyl)phenylthio)b...) Show SMILES CC1(CC(=O)NCc2ccccc2Sc2ccccc2CO)CC2(CCCCC2)OO1 Show InChI InChI=1S/C25H31NO4S/c1-24(18-25(30-29-24)13-7-2-8-14-25)15-23(28)26-16-19-9-3-5-11-21(19)31-22-12-6-4-10-20(22)17-27/h3-6,9-12,27H,2,7-8,13-18H2,1H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301833 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(4-(t...) Show SMILES CC1(CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C19H24F3NO4/c1-17(13-18(27-26-17)9-3-2-4-10-18)11-16(24)23-12-14-5-7-15(8-6-14)25-19(20,21)22/h5-8H,2-4,9-13H2,1H3,(H,23,24)	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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301848 (CHEMBL584886 | N-((2,3-dihydrobenzofuran-6-yl)meth...) Show SMILES CC1(CC(=O)NCc2ccc3CCOc3c2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C20H27NO4/c1-19(14-20(25-24-19)8-3-2-4-9-20)12-18(22)21-13-15-5-6-16-7-10-23-17(16)11-15/h5-6,11H,2-4,7-10,12-14H2,1H3,(H,21,22)	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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50304834 (CHEMBL578928 | GNF-Pf-2094 | N2-benzyl-N4-cyclohex...) Show SMILES Cc1cc(NC2CCCCC2)nc(NCc2ccccc2)n1 Show InChI InChI=1S/C18H24N4/c1-14-12-17(21-16-10-6-3-7-11-16)22-18(20-14)19-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H2,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				Bioorg Med Chem Lett 20: 228-31 (2010) Article DOI: 10.1016/j.bmcl.2009.10.133 BindingDB Entry DOI: 10.7270/Q2WD40P9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301842 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(4-ni...) Show SMILES CC1(CC(=O)NCc2ccc(cc2)[N+]([O-])=O)CC2(CCCCC2)OO1 Show InChI InChI=1S/C18H24N2O5/c1-17(13-18(25-24-17)9-3-2-4-10-18)11-16(21)19-12-14-5-7-15(8-6-14)20(22)23/h5-8H,2-4,9-13H2,1H3,(H,19,21)	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	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301830 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3-(t...) Show SMILES CC1(CC(=O)NCc2cccc(c2)C(F)(F)F)CC2(CCCCC2)OO1 Show InChI InChI=1S/C19H24F3NO3/c1-17(13-18(26-25-17)8-3-2-4-9-18)11-16(24)23-12-14-6-5-7-15(10-14)19(20,21)22/h5-7,10H,2-4,8-9,11-13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50301830 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3-(t...) Show SMILES CC1(CC(=O)NCc2cccc(c2)C(F)(F)F)CC2(CCCCC2)OO1 Show InChI InChI=1S/C19H24F3NO3/c1-17(13-18(26-25-17)8-3-2-4-9-18)11-16(24)23-12-14-6-5-7-15(10-14)19(20,21)22/h5-7,10H,2-4,8-9,11-13H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50245848 (CHEMBL462360 | N-(2-(7-chloroquinolin-4-ylamino)et...) Show SMILES CC1(CC(=O)NCCNc2ccnc3cc(Cl)ccc23)CC2(CCCCC2)OO1 Show InChI InChI=1S/C22H28ClN3O3/c1-21(15-22(29-28-21)8-3-2-4-9-22)14-20(27)26-12-11-25-18-7-10-24-19-13-16(23)5-6-17(18)19/h5-7,10,13H,2-4,8-9,11-12,14-15H2,1H3,(H,24,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50301834 (CHEMBL577694 | N-(3-chlorobenzyl)-2-(3-methyl-1,2-...) Show SMILES CC1(CC(=O)NCc2cccc(Cl)c2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C18H24ClNO3/c1-17(13-18(23-22-17)8-3-2-4-9-18)11-16(21)20-12-14-6-5-7-15(19)10-14/h5-7,10H,2-4,8-9,11-13H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50301835 (CHEMBL572184 | N-(3-bromobenzyl)-2-(3-methyl-1,2-d...) Show SMILES CC1(CC(=O)NCc2cccc(Br)c2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C18H24BrNO3/c1-17(13-18(23-22-17)8-3-2-4-9-18)11-16(21)20-12-14-6-5-7-15(19)10-14/h5-7,10H,2-4,8-9,11-13H2,1H3,(H,20,21)	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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301832 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(2-(t...) Show SMILES CC1(CC(=O)NCc2ccccc2OC(F)(F)F)CC2(CCCCC2)OO1 Show InChI InChI=1S/C19H24F3NO4/c1-17(13-18(27-26-17)9-5-2-6-10-18)11-16(24)23-12-14-7-3-4-8-15(14)25-19(20,21)22/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,23,24)	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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301826 (CHEMBL565361 | N-(3-methoxybenzyl)-2-(3-methyl-1,2...) Show SMILES COc1cccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)c1 Show InChI InChI=1S/C19H27NO4/c1-18(14-19(24-23-18)9-4-3-5-10-19)12-17(21)20-13-15-7-6-8-16(11-15)22-2/h6-8,11H,3-5,9-10,12-14H2,1-2H3,(H,20,21)	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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50301841 (CHEMBL578588 | N-(4-(dimethylamino)benzyl)-2-(3-me...) Show SMILES CN(C)c1ccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc1 Show InChI InChI=1S/C20H30N2O3/c1-19(15-20(25-24-19)11-5-4-6-12-20)13-18(23)21-14-16-7-9-17(10-8-16)22(2)3/h7-10H,4-6,11-15H2,1-3H3,(H,21,23)	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	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301840 (CHEMBL567376 | N-(2-aminobenzyl)-2-(3-methyl-1,2-d...) Show SMILES CC1(CC(=O)NCc2ccccc2N)CC2(CCCCC2)OO1 Show InChI InChI=1S/C18H26N2O3/c1-17(13-18(23-22-17)9-5-2-6-10-18)11-16(21)20-12-14-7-3-4-8-15(14)19/h3-4,7-8H,2,5-6,9-13,19H2,1H3,(H,20,21)	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	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301839 (CHEMBL578547 | methyl 4-((2-(3-methyl-1,2-dioxaspi...) Show SMILES COC(=O)c1ccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc1 Show InChI InChI=1S/C20H27NO5/c1-19(14-20(26-25-19)10-4-3-5-11-20)12-17(22)21-13-15-6-8-16(9-7-15)18(23)24-2/h6-9H,3-5,10-14H2,1-2H3,(H,21,22)	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	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301833 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(4-(t...) Show SMILES CC1(CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C19H24F3NO4/c1-17(13-18(27-26-17)9-3-2-4-10-18)11-16(24)23-12-14-5-7-15(8-6-14)25-19(20,21)22/h5-8H,2-4,9-13H2,1H3,(H,23,24)	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	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50301836 (CHEMBL565362 | N-(4-bromo-2-fluorobenzyl)-2-(3-met...) Show SMILES CC1(CC(=O)NCc2ccc(Br)cc2F)CC2(CCCCC2)OO1 Show InChI InChI=1S/C18H23BrFNO3/c1-17(12-18(24-23-17)7-3-2-4-8-18)10-16(22)21-11-13-5-6-14(19)9-15(13)20/h5-6,9H,2-4,7-8,10-12H2,1H3,(H,21,22)	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	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50245848 (CHEMBL462360 | N-(2-(7-chloroquinolin-4-ylamino)et...) Show SMILES CC1(CC(=O)NCCNc2ccnc3cc(Cl)ccc23)CC2(CCCCC2)OO1 Show InChI InChI=1S/C22H28ClN3O3/c1-21(15-22(29-28-21)8-3-2-4-9-22)14-20(27)26-12-11-25-18-7-10-24-19-13-16(23)5-6-17(18)19/h5-7,10,13H,2-4,8-9,11-12,14-15H2,1H3,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50301833 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(4-(t...) Show SMILES CC1(CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C19H24F3NO4/c1-17(13-18(27-26-17)9-3-2-4-10-18)11-16(24)23-12-14-5-7-15(8-6-14)25-19(20,21)22/h5-8H,2-4,9-13H2,1H3,(H,23,24)	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301843 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(4-(m...) Show SMILES CSc1ccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc1 Show InChI InChI=1S/C19H27NO3S/c1-18(14-19(23-22-18)10-4-3-5-11-19)12-17(21)20-13-15-6-8-16(24-2)9-7-15/h6-9H,3-5,10-14H2,1-2H3,(H,20,21)	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50301826 (CHEMBL565361 | N-(3-methoxybenzyl)-2-(3-methyl-1,2...) Show SMILES COc1cccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)c1 Show InChI InChI=1S/C19H27NO4/c1-18(14-19(24-23-18)9-4-3-5-10-19)12-17(21)20-13-15-7-6-8-16(11-15)22-2/h6-8,11H,3-5,9-10,12-14H2,1-2H3,(H,20,21)	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	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301832 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(2-(t...) Show SMILES CC1(CC(=O)NCc2ccccc2OC(F)(F)F)CC2(CCCCC2)OO1 Show InChI InChI=1S/C19H24F3NO4/c1-17(13-18(27-26-17)9-5-2-6-10-18)11-16(24)23-12-14-7-3-4-8-15(14)25-19(20,21)22/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,23,24)	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	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50304834 (CHEMBL578928 | GNF-Pf-2094 | N2-benzyl-N4-cyclohex...) Show SMILES Cc1cc(NC2CCCCC2)nc(NCc2ccccc2)n1 Show InChI InChI=1S/C18H24N4/c1-14-12-17(21-16-10-6-3-7-11-16)22-18(20-14)19-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H2,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 20: 228-31 (2010) Article DOI: 10.1016/j.bmcl.2009.10.133 BindingDB Entry DOI: 10.7270/Q2WD40P9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301836 (CHEMBL565362 | N-(4-bromo-2-fluorobenzyl)-2-(3-met...) Show SMILES CC1(CC(=O)NCc2ccc(Br)cc2F)CC2(CCCCC2)OO1 Show InChI InChI=1S/C18H23BrFNO3/c1-17(12-18(24-23-17)7-3-2-4-8-18)10-16(22)21-11-13-5-6-14(19)9-15(13)20/h5-6,9H,2-4,7-8,10-12H2,1H3,(H,21,22)	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	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301846 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(4-mo...) Show SMILES CC1(CC(=O)NCc2ccc(cc2)N2CCOCC2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C22H32N2O4/c1-21(17-22(28-27-21)9-3-2-4-10-22)15-20(25)23-16-18-5-7-19(8-6-18)24-11-13-26-14-12-24/h5-8H,2-4,9-17H2,1H3,(H,23,25)	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	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301837 (CHEMBL567374 | tert-butyl 3-(2-(2-(3-methyl-1,2-di...) Show SMILES CC(C)(C)OC(=O)Nc1cccc(CCNC(=O)CC2(C)CC3(CCCCC3)OO2)c1 Show InChI InChI=1S/C24H36N2O5/c1-22(2,3)29-21(28)26-19-10-8-9-18(15-19)11-14-25-20(27)16-23(4)17-24(31-30-23)12-6-5-7-13-24/h8-10,15H,5-7,11-14,16-17H2,1-4H3,(H,25,27)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50301831 (CHEMBL583442 | N-(4-(difluoromethoxy)benzyl)-2-(3-...) Show SMILES CC1(CC(=O)NCc2ccc(OC(F)F)cc2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C19H25F2NO4/c1-18(13-19(26-25-18)9-3-2-4-10-19)11-16(23)22-12-14-5-7-15(8-6-14)24-17(20)21/h5-8,17H,2-4,9-13H2,1H3,(H,22,23)	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	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301841 (CHEMBL578588 | N-(4-(dimethylamino)benzyl)-2-(3-me...) Show SMILES CN(C)c1ccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc1 Show InChI InChI=1S/C20H30N2O3/c1-19(15-20(25-24-19)11-5-4-6-12-20)13-18(23)21-14-16-7-9-17(10-8-16)22(2)3/h7-10H,4-6,11-15H2,1-3H3,(H,21,23)	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	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50301834 (CHEMBL577694 | N-(3-chlorobenzyl)-2-(3-methyl-1,2-...) Show SMILES CC1(CC(=O)NCc2cccc(Cl)c2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C18H24ClNO3/c1-17(13-18(23-22-17)8-3-2-4-9-18)11-16(21)20-12-14-6-5-7-15(19)10-14/h5-7,10H,2-4,8-9,11-13H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50301851 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(pyri...) Show SMILES CC1(CC(=O)NCc2ccccn2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C17H24N2O3/c1-16(13-17(22-21-16)8-4-2-5-9-17)11-15(20)19-12-14-7-3-6-10-18-14/h3,6-7,10H,2,4-5,8-9,11-13H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50301852 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(pyri...) Show SMILES CC1(CC(=O)NCc2ccncc2)CC2(CCCCC2)OO1 Show InChI InChI=1S/C17H24N2O3/c1-16(13-17(22-21-16)7-3-2-4-8-17)11-15(20)19-12-14-5-9-18-10-6-14/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair

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