Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'buisson' and Initial = 'd'   

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))	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	160	n/a	n/a	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
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430695 (CHEMBL2333516) Show SMILES COc1cccc(COC(=O)C2=C(C)N(C)C(=O)N(C)C2c2ccco2)c1 |c:11| Show InChI InChI=1S/C20H22N2O5/c1-13-17(19(23)27-12-14-7-5-8-15(11-14)25-4)18(16-9-6-10-26-16)22(3)20(24)21(13)2/h5-11,18H,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0650	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430697 (CHEMBL2333514) Show SMILES COc1cccc(COC(=O)C2C(NC(=O)N=C2C)c2ccco2)c1 |c:16| Show InChI InChI=1S/C18H18N2O5/c1-11-15(16(20-18(22)19-11)14-7-4-8-24-14)17(21)25-10-12-5-3-6-13(9-12)23-2/h3-9,15-16H,10H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430685 (CHEMBL2333509) Show SMILES CN1[C@H](c2ccco2)C(C(=O)OCc2ccc3OCOc3c2)=C(C)N(C)C1=O |r,t:24| Show InChI InChI=1S/C20H20N2O6/c1-12-17(18(15-5-4-8-25-15)22(3)20(24)21(12)2)19(23)26-10-13-6-7-14-16(9-13)28-11-27-14/h4-9,18H,10-11H2,1-3H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430685 (CHEMBL2333509) Show SMILES CN1[C@H](c2ccco2)C(C(=O)OCc2ccc3OCOc3c2)=C(C)N(C)C1=O |r,t:24| Show InChI InChI=1S/C20H20N2O6/c1-12-17(18(15-5-4-8-25-15)22(3)20(24)21(12)2)19(23)26-10-13-6-7-14-16(9-13)28-11-27-14/h4-9,18H,10-11H2,1-3H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430698 (CHEMBL2333513) Show SMILES COc1ccc(COC(=O)C2=C(C)N(C)C(=O)N(C)C2c2ccco2)cc1 |c:10| Show InChI InChI=1S/C20H22N2O5/c1-13-17(19(23)27-12-14-7-9-15(25-4)10-8-14)18(16-6-5-11-26-16)22(3)20(24)21(13)2/h5-11,18H,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430684 (CHEMBL2333507) Show SMILES COc1ccc(COC(=O)C2[C@H](NC(=O)N=C2C)c2ccco2)cc1 |r,c:15| Show InChI InChI=1S/C18H18N2O5/c1-11-15(16(20-18(22)19-11)14-4-3-9-24-14)17(21)25-10-12-5-7-13(23-2)8-6-12/h3-9,15-16H,10H2,1-2H3,(H,20,22)/t15?,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430691 (CHEMBL2333502) Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccco1 |t:1| Show InChI InChI=1S/C18H16N2O6/c1-10-15(16(20-18(22)19-10)13-3-2-6-23-13)17(21)24-8-11-4-5-12-14(7-11)26-9-25-12/h2-7,15-16H,8-9H2,1H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430692 (CHEMBL2333501) Show SMILES COc1ccc(COC(=O)C2=C(C)N(C)C(=O)N(C)C2c2ccco2)cc1OC |c:10| Show InChI InChI=1S/C21H24N2O6/c1-13-18(19(16-7-6-10-28-16)23(3)21(25)22(13)2)20(24)29-12-14-8-9-15(26-4)17(11-14)27-5/h6-11,19H,12H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430689 (CHEMBL2333505) Show SMILES COc1ccc(COC(=O)C2[C@H](NC(=O)N=C2C)c2ccccc2)cc1 |r,c:15| Show InChI InChI=1S/C20H20N2O4/c1-13-17(18(22-20(24)21-13)15-6-4-3-5-7-15)19(23)26-12-14-8-10-16(25-2)11-9-14/h3-11,17-18H,12H2,1-2H3,(H,22,24)/t17?,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430690 (CHEMBL2333503) Show SMILES CN1C(=O)NC(c2ccco2)C(C(=O)OCc2ccc3OCOc3c2)=C1C |c:27| Show InChI InChI=1S/C19H18N2O6/c1-11-16(17(14-4-3-7-24-14)20-19(23)21(11)2)18(22)25-9-12-5-6-13-15(8-12)27-10-26-13/h3-8,17H,9-10H2,1-2H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430696 (CHEMBL2333515) Show SMILES COc1cccc(COC(=O)C2=C(C)N(C)C(=O)NC2c2ccco2)c1 |c:11| Show InChI InChI=1S/C19H20N2O5/c1-12-16(17(15-8-5-9-25-15)20-19(23)21(12)2)18(22)26-11-13-6-4-7-14(10-13)24-3/h4-10,17H,11H2,1-3H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430686 (CHEMBL2333506) Show SMILES COc1ccc(COC(=O)C2[C@@H](NC(=O)N=C2C)c2ccccc2)cc1 |r,c:15| Show InChI InChI=1S/C20H20N2O4/c1-13-17(18(22-20(24)21-13)15-6-4-3-5-7-15)19(23)26-12-14-8-10-16(25-2)11-9-14/h3-11,17-18H,12H2,1-2H3,(H,22,24)/t17?,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430699 (CHEMBL2333512) Show SMILES COc1ccc(COC(=O)C2=C(C)N(C)C(=O)NC2c2ccco2)cc1 |c:10| Show InChI InChI=1S/C19H20N2O5/c1-12-16(17(15-5-4-10-25-15)20-19(23)21(12)2)18(22)26-11-13-6-8-14(24-3)9-7-13/h4-10,17H,11H2,1-3H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM36131 (perchlorate | sodium perchlorate) Show SMILES [O-][Cl](=O)(=O)=O Show InChI InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430694 (CHEMBL2333517) Show SMILES COc1ccc(COC(=O)C2C(NC(=O)N=C2C)c2ccco2)cc1OC |c:15| Show InChI InChI=1S/C19H20N2O6/c1-11-16(17(21-19(23)20-11)14-5-4-8-26-14)18(22)27-10-12-6-7-13(24-2)15(9-12)25-3/h4-9,16-17H,10H2,1-3H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					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))	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
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430688 (CHEMBL2333510) Show SMILES CN1[C@@H](c2ccco2)C(C(=O)OCc2ccc3OCOc3c2)=C(C)N(C)C1=O |r,t:24| Show InChI InChI=1S/C20H20N2O6/c1-12-17(18(15-5-4-8-25-15)22(3)20(24)21(12)2)19(23)26-10-13-6-7-14-16(9-13)28-11-27-14/h4-9,18H,10-11H2,1-3H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430684 (CHEMBL2333507) Show SMILES COc1ccc(COC(=O)C2[C@H](NC(=O)N=C2C)c2ccco2)cc1 |r,c:15| Show InChI InChI=1S/C18H18N2O5/c1-11-15(16(20-18(22)19-11)14-4-3-9-24-14)17(21)25-10-12-5-7-13(23-2)8-6-12/h3-9,15-16H,10H2,1-2H3,(H,20,22)/t15?,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					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))	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))	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
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430693 (CHEMBL2333518) Show SMILES COc1ccc(COC(=O)C2=C(C)N(C)C(=O)NC2c2ccco2)cc1OC |c:10| Show InChI InChI=1S/C20H22N2O6/c1-12-17(18(15-6-5-9-27-15)21-20(24)22(12)2)19(23)28-11-13-7-8-14(25-3)16(10-13)26-4/h5-10,18H,11H2,1-4H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					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
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430686 (CHEMBL2333506) Show SMILES COc1ccc(COC(=O)C2[C@@H](NC(=O)N=C2C)c2ccccc2)cc1 |r,c:15| Show InChI InChI=1S/C20H20N2O4/c1-13-17(18(22-20(24)21-13)15-6-4-3-5-7-15)19(23)26-12-14-8-10-16(25-2)11-9-14/h3-11,17-18H,12H2,1-2H3,(H,22,24)/t17?,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					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))	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))	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 3A4 (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	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	5.50E+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 CYP3A4				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))	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))	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 3A4 (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	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	7.90E+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 CYP3A4				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
Sodium/iodide cotransporter (Rattus norvegicus)	BDBM50430687 (CHEMBL2333508) Show SMILES COc1ccc(COC(=O)C2[C@@H](NC(=O)N=C2C)c2ccco2)cc1 |r,c:15| Show InChI InChI=1S/C18H18N2O5/c1-11-15(16(20-18(22)19-11)14-4-3-9-24-14)17(21)25-10-12-5-7-13(23-2)8-6-12/h3-9,15-16H,10H2,1-2H3,(H,20,22)/t15?,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Biologie et de Technologies de Saclay (iBiTecS) Curated by ChEMBL					Assay Description inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay				Eur J Med Chem 62: 722-7 (2013) Article DOI: 10.1016/j.ejmech.2013.01.043 BindingDB Entry DOI: 10.7270/Q2MS3V4D
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (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	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	2.10E+4	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 CYP2C9				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 2B6 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	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 CYP2B6				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 2C9 (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	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+4	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 CYP2C9				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 2B6 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	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 CYP2B6				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 2C8 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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 CYP2C8				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 2C8 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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 CYP2C8				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
Ricin (Ricinus communis)	BDBM50446346 (CHEMBL3109594) Show SMILES CN1[C@@H](N(C(=O)c2cc(F)ccc12)c1ccccc1)c1ccc(s1)-c1csc(C)n1 |r| Show InChI InChI=1S/C23H18FN3OS2/c1-14-25-18(13-29-14)20-10-11-21(30-20)22-26(2)19-9-8-15(24)12-17(19)23(28)27(22)16-6-4-3-5-7-16/h3-13,22H,1-2H3/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
CEA-Saclay Curated by ChEMBL					Assay Description Inhibition of castor bean ricin-induced toxicity in human A549 cells assessed as protection against toxin-induced inhibition of protein biosynthesis ...				ACS Med Chem Lett 5: 94-7 (2014) Article DOI: 10.1021/ml400457j BindingDB Entry DOI: 10.7270/Q2QC0500
					More data for this Ligand-Target Pair
Ricin (Ricinus communis)	BDBM50446345 (CHEMBL3109593) Show SMILES CN1[C@H](N(C(=O)c2cc(F)ccc12)c1ccccc1)c1ccc(s1)-c1csc(C)n1 |r| Show InChI InChI=1S/C23H18FN3OS2/c1-14-25-18(13-29-14)20-10-11-21(30-20)22-26(2)19-9-8-15(24)12-17(19)23(28)27(22)16-6-4-3-5-7-16/h3-13,22H,1-2H3/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
CEA-Saclay Curated by ChEMBL					Assay Description Inhibition of castor bean ricin-induced toxicity in human A549 cells assessed as protection against toxin-induced inhibition of protein biosynthesis ...				ACS Med Chem Lett 5: 94-7 (2014) Article DOI: 10.1021/ml400457j BindingDB Entry DOI: 10.7270/Q2QC0500
					More data for this Ligand-Target Pair
Ricin (Ricinus communis)	BDBM50446347 (CHEMBL3109595) Show SMILES CN1C(N(C(=O)c2cc(F)ccc12)c1ccccc1)c1ccc(s1)-c1csc(C)n1 Show InChI InChI=1S/C23H18FN3OS2/c1-14-25-18(13-29-14)20-10-11-21(30-20)22-26(2)19-9-8-15(24)12-17(19)23(28)27(22)16-6-4-3-5-7-16/h3-13,22H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a
CEA-Saclay Curated by ChEMBL					Assay Description Inhibition of castor bean ricin-induced toxicity in human A549 cells assessed as protection against toxin-induced inhibition of protein biosynthesis ...				ACS Med Chem Lett 5: 94-7 (2014) Article DOI: 10.1021/ml400457j BindingDB Entry DOI: 10.7270/Q2QC0500
					More data for this Ligand-Target Pair