Compile Data Set for Download or QSAR

Found 116 hits of ic50 data for polymerid = 10110   

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 2J2 (Homo sapiens (Human))	BDBM50423541 (DANAZOL | Danocrine | WIN-17757) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C |r,t:8| Show InChI InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2J2 (unknown origin)-mediated astemizole O-demethylation preincubated for 30 mins followed by substrate addition in pres...				Drug Metab Dispos 40: 943-51 (2012) Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50423541 (DANAZOL | Danocrine | WIN-17757) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C |r,t:8| Show InChI InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2J2 (unknown origin)-mediated astemizole O-demethylation in presence of NADPH				Drug Metab Dispos 40: 943-51 (2012) Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50423541 (DANAZOL | Danocrine | WIN-17757) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C |r,t:8| Show InChI InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2J2 (unknown origin)-mediated terfenadine hydroxylation in presence of NADPH				Drug Metab Dispos 40: 943-51 (2012) Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50423541 (DANAZOL | Danocrine | WIN-17757) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C |r,t:8| Show InChI InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2J2-mediated astemizole O-demethylation in human liver microsomes after 8 mins by LC-MS/MS analysis				Drug Metab Dispos 40: 943-51 (2012) Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50423541 (DANAZOL | Danocrine | WIN-17757) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C |r,t:8| Show InChI InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2J2 in human liver microsomes using 7 probe cocktail containing phenacetin, paclitaxel, diclofenac, S-mephenytoin, dextromethorphan,...				Drug Metab Dispos 40: 943-51 (2012) Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183079 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p...) Show SMILES CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183075 (1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...) Show SMILES OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H35NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h2-8,11-14,16-19,29,34H,1,9-10,15,20-24H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50043280 (4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...) Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50043280 (4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...) Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation reduction in astemizole O-demethylation after 30 mins by L...				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50043280 (4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...) Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation after 30 mins by LC-MS/MS method in presence of 1 mM NADPH				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM31772 (1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...) Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2J2-mediated astemizole O-demethylation in human liver microsomes after 8 mins by LC-MS/MS analysis				Drug Metab Dispos 40: 943-51 (2012) Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183085 (1-(4-ethylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...) Show SMILES CCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H35NO2/c1-2-24-15-17-25(18-16-24)29(32)14-9-21-31-22-19-28(20-23-31)30(33,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28,33H,2,9,14,19-23H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM31772 (1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...) Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2J2 in human liver microsomes using 7 probe cocktail containing phenacetin, paclitaxel, diclofenac, S-mephenytoin, dextromethorphan,...				Drug Metab Dispos 40: 943-51 (2012) Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183082 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-p-to...) Show SMILES Cc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H33NO2/c1-23-14-16-24(17-15-23)28(31)13-8-20-30-21-18-27(19-22-30)29(32,25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-12,14-17,27,32H,8,13,18-22H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183084 (CHEMBL205154 | terfenadone) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H39NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29,35H,10,15,20-24H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183080 (1-(4-butylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe...) Show SMILES CCCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H39NO2/c1-2-3-11-26-17-19-27(20-18-26)31(34)16-10-23-33-24-21-30(22-25-33)32(35,28-12-6-4-7-13-28)29-14-8-5-9-15-29/h4-9,12-15,17-20,30,35H,2-3,10-11,16,21-25H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50017702 (1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine...) Show SMILES Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation after 30 mins by LC-MS/MS method in presence of 1 mM NADPH				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50017702 (1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine...) Show SMILES Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50017702 (1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine...) Show SMILES Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation reduction in astemizole O-demethylation after 30 mins by L...				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50041457 (4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...) Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O Show InChI InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50017376 ((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...) Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2J2-mediated astemizole O-demethylation in human liver microsomes after 8 mins by LC-MS/MS analysis				Drug Metab Dispos 40: 943-51 (2012) Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183077 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-(...) Show SMILES OCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H35NO3/c32-23-19-24-13-15-25(16-14-24)29(33)12-7-20-31-21-17-28(18-22-31)30(34,26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-6,8-11,13-16,28,32,34H,7,12,17-23H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50305628 (CHEMBL589135 | N-(2,4-dichlorobenzyl)-4-phenoxypip...) Show SMILES Clc1ccc(CNC(=O)N2CCC(CC2)Oc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N2O2/c20-15-7-6-14(18(21)12-15)13-22-19(24)23-10-8-17(9-11-23)25-16-4-2-1-3-5-16/h1-7,12,17H,8-11,13H2,(H,22,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2J2				Bioorg Med Chem Lett 20: 571-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.091 BindingDB Entry DOI: 10.7270/Q23R0SZ6
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50305628 (CHEMBL589135 | N-(2,4-dichlorobenzyl)-4-phenoxypip...) Show SMILES Clc1ccc(CNC(=O)N2CCC(CC2)Oc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N2O2/c20-15-7-6-14(18(21)12-15)13-22-19(24)23-10-8-17(9-11-23)25-16-4-2-1-3-5-16/h1-7,12,17H,8-11,13H2,(H,22,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2J2				J Med Chem 55: 1789-808 (2012) Article DOI: 10.1021/jm201468j BindingDB Entry DOI: 10.7270/Q2639QTC
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50101815 (CHEBI:7550 | Nicardipine) Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1 |c:4,9| Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50017376 ((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...) Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2J2 in human liver microsomes using 7 probe cocktail containing phenacetin, paclitaxel, diclofenac, S-mephenytoin, dextromethorphan,...				Drug Metab Dispos 40: 943-51 (2012) Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183078 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-(...) Show SMILES OCCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H37NO3/c33-24-8-9-25-15-17-26(18-16-25)30(34)14-7-21-32-22-19-29(20-23-32)31(35,27-10-3-1-4-11-27)28-12-5-2-6-13-28/h1-6,10-13,15-18,29,33,35H,7-9,14,19-24H2	UniProtKB/SwissProt 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
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50319984 (4-(pyrimidin-2-yloxy)-N-(2-(trifluoromethoxy)benzy...) Show SMILES FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(CC1)Oc1ncccn1 Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)28-15-5-2-1-4-13(15)12-24-17(26)25-10-6-14(7-11-25)27-16-22-8-3-9-23-16/h1-5,8-9,14H,6-7,10-12H2,(H,24,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2J2				Bioorg Med Chem Lett 20: 3703-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.078 BindingDB Entry DOI: 10.7270/Q2BV7GTJ
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50297412 (CHEMBL560740 | N-[3,3-Bis-(4-fluorophenyl)-propyl]...) Show SMILES Fc1ccc(cc1)C(CCNC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(F)cc1 Show InChI InChI=1S/C23H19F5N2O2/c24-18-6-1-15(2-7-18)20(16-3-8-19(25)9-4-16)11-12-29-22(31)17-5-10-21(30-13-17)32-14-23(26,27)28/h1-10,13,20H,11-12,14H2,(H,29,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2J2				J Med Chem 52: 5880-95 (2009) Article DOI: 10.1021/jm9005302 BindingDB Entry DOI: 10.7270/Q2BG2P2G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM78934 (2-methoxyacetic acid [(1S,2S)-2-[2-[3-(1H-benzimid...) Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183076 (1-(4-(2,2-difluoroethyl)phenyl)-4-(4-(hydroxydiphe...) Show SMILES OC(C1CCN(CCCC(=O)c2ccc(CC(F)F)cc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H33F2NO2/c31-29(32)22-23-13-15-24(16-14-23)28(34)12-7-19-33-20-17-27(18-21-33)30(35,25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-11,13-16,27,29,35H,7,12,17-22H2	UniProtKB/SwissProt 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
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183086 (3-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)b...) Show SMILES CC(=O)OCCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H39NO4/c1-26(35)38-25-9-10-27-16-18-28(19-17-27)32(36)15-8-22-34-23-20-31(21-24-34)33(37,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-7,11-14,16-19,31,37H,8-10,15,20-25H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50045000 ((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1 Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50319982 (CHEMBL1085746 | N-(2,4-dichlorobenzyl)-4-(pyridin-...) Show SMILES Clc1ccc(CNC(=O)N2CCC(CC2)Oc2ccncc2)c(Cl)c1 Show InChI InChI=1S/C18H19Cl2N3O2/c19-14-2-1-13(17(20)11-14)12-22-18(24)23-9-5-16(6-10-23)25-15-3-7-21-8-4-15/h1-4,7-8,11,16H,5-6,9-10,12H2,(H,22,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2J2				Bioorg Med Chem Lett 20: 3703-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.078 BindingDB Entry DOI: 10.7270/Q2BV7GTJ
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50297400 ((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...) Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H21FN2O3S/c1-31(29,30)22-12-8-19(9-13-22)23(18-6-10-21(25)11-7-18)14-15-27-24(28)20-4-2-17(16-26)3-5-20/h2-13,23H,14-15H2,1H3,(H,27,28)/t23-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2J2				J Med Chem 52: 5880-95 (2009) Article DOI: 10.1021/jm9005302 BindingDB Entry DOI: 10.7270/Q2BG2P2G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50101817 (Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...) Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC |c:4,9| Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50101971 (BAY-E-9736 | CHEBI:7575 | Nimodipine | Nimotop) Show SMILES COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,12| Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183081 (1-(4-bromophenyl)-4-(4-(hydroxydiphenylmethyl)pipe...) Show SMILES OC(C1CCN(CCCC(=O)c2ccc(Br)cc2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30BrNO2/c29-26-15-13-22(14-16-26)27(31)12-7-19-30-20-17-25(18-21-30)28(32,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-16,25,32H,7,12,17-21H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50158460 ((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...) Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM25756 ((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...) Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1 Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183087 (1-(benzo[d][1,3]dioxol-5-yl)-4-(4-(hydroxydiphenyl...) Show SMILES OC(C1CCN(CCCC(=O)c2ccc3OCOc3c2)CC1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H31NO4/c31-26(22-13-14-27-28(20-22)34-21-33-27)12-7-17-30-18-15-25(16-19-30)29(32,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-14,20,25,32H,7,12,15-19,21H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM235143 (US9359341, Formula B) Show SMILES Clc1ccc(s1)C(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O)C=O |r| Show InChI InChI=1S/C20H18ClN3O6S/c21-17-6-5-16(31-17)19(27)22(12-25)9-15-10-24(20(28)30-15)14-3-1-13(2-4-14)23-7-8-29-11-18(23)26/h1-6,12,15H,7-11H2/t15-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	7.4	37
WANBURY LTD. US Patent					Assay Description Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...				US Patent US9359341 (2016) BindingDB Entry DOI: 10.7270/Q29Z93S1
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50183083 (4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-m...) Show SMILES COc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H33NO3/c1-33-27-16-14-23(15-17-27)28(31)13-8-20-30-21-18-26(19-22-30)29(32,24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-12,14-17,26,32H,8,13,18-22H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50017376 ((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...) Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 5 René Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells				Bioorg Med Chem Lett 16: 2777-80 (2006) Article DOI: 10.1016/j.bmcl.2006.02.004 BindingDB Entry DOI: 10.7270/Q21Z440R
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM41132 (MLS000028542 | SMR000058333 | TRIAMCINOLONE | cid_...) Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO |c:14,t:10| Show InChI InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50319983 (3-(pyridin-4-yl)-N-(2-(trifluoromethoxy)benzyl)pyr...) Show SMILES FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(C1)c1ccncc1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)26-16-4-2-1-3-14(16)11-23-17(25)24-10-7-15(12-24)13-5-8-22-9-6-13/h1-6,8-9,15H,7,10-12H2,(H,23,25)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2J2				J Med Chem 55: 1789-808 (2012) Article DOI: 10.1021/jm201468j BindingDB Entry DOI: 10.7270/Q2639QTC
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50319987 (4-(pyridin-4-yloxy)-N-(2-(trifluoromethoxy)benzyl)...) Show SMILES FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(CC1)Oc1ccncc1 Show InChI InChI=1S/C19H20F3N3O3/c20-19(21,22)28-17-4-2-1-3-14(17)13-24-18(26)25-11-7-16(8-12-25)27-15-5-9-23-10-6-15/h1-6,9-10,16H,7-8,11-13H2,(H,24,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2J2				Bioorg Med Chem Lett 20: 3703-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.078 BindingDB Entry DOI: 10.7270/Q2BV7GTJ
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50319983 (3-(pyridin-4-yl)-N-(2-(trifluoromethoxy)benzyl)pyr...) Show SMILES FC(F)(F)Oc1ccccc1CNC(=O)N1CCC(C1)c1ccncc1 Show InChI InChI=1S/C18H18F3N3O2/c19-18(20,21)26-16-4-2-1-3-14(16)11-23-17(25)24-10-7-15(12-24)13-5-8-22-9-6-13/h1-6,8-9,15H,7,10-12H2,(H,23,25)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2J2				Bioorg Med Chem Lett 20: 3703-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.078 BindingDB Entry DOI: 10.7270/Q2BV7GTJ
					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1 Show InChI InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
					More data for this Ligand-Target Pair

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