Compile Data Set for Download or QSAR

Found 97 hits Enz. Inhib. hit(s) with all data for entry = 50025700   

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 2D6 (Homo sapiens (Human))	BDBM50067028 ((1E,4E)-1,5-Bis-(4-hydroxy-3-methoxy-phenyl)-penta...) Show SMILES COc1cc(\C=C\C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C19H18O5/c1-23-18-11-13(5-9-16(18)21)3-7-15(20)8-4-14-6-10-17(22)19(12-14)24-2/h3-12,21-22H,1-2H3/b7-3+,8-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50067028 ((1E,4E)-1,5-Bis-(4-hydroxy-3-methoxy-phenyl)-penta...) Show SMILES COc1cc(\C=C\C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C19H18O5/c1-23-18-11-13(5-9-16(18)21)3-7-15(20)8-4-14-6-10-17(22)19(12-14)24-2/h3-12,21-22H,1-2H3/b7-3+,8-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50240380 (2,6-Bis-(benzylidene)-cyclohexanone | 2,6-Bis-[1-p...) Show SMILES O=C1\C(CCC\C1=C/c1ccccc1)=C\c1ccccc1 Show InChI InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14+,19-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50240380 (2,6-Bis-(benzylidene)-cyclohexanone | 2,6-Bis-[1-p...) Show SMILES O=C1\C(CCC\C1=C/c1ccccc1)=C\c1ccccc1 Show InChI InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14+,19-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50264832 (2,6-bis(4-hydroxybenzylidene)cyclohexanone | CHEMB...) Show SMILES Oc1ccc(\C=C2/CCC\C(=C/c3ccc(O)cc3)C2=O)cc1 Show InChI InChI=1S/C20H18O3/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13,21-22H,1-3H2/b16-12+,17-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50264832 (2,6-bis(4-hydroxybenzylidene)cyclohexanone | CHEMB...) Show SMILES Oc1ccc(\C=C2/CCC\C(=C/c3ccc(O)cc3)C2=O)cc1 Show InChI InChI=1S/C20H18O3/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13,21-22H,1-3H2/b16-12+,17-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50067044 ((1E,4E)-1,5-Bis-(4-hydroxy-phenyl)-penta-1,4-dien-...) Show SMILES Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H/b11-5+,12-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50067044 ((1E,4E)-1,5-Bis-(4-hydroxy-phenyl)-penta-1,4-dien-...) Show SMILES Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H/b11-5+,12-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50067044 ((1E,4E)-1,5-Bis-(4-hydroxy-phenyl)-penta-1,4-dien-...) Show SMILES Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H/b11-5+,12-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50067044 ((1E,4E)-1,5-Bis-(4-hydroxy-phenyl)-penta-1,4-dien-...) Show SMILES Oc1ccc(\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H/b11-5+,12-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50241499 (2,6-bis(4-(dimethylamino)benzylidene)cyclohexanone...) Show SMILES CN(C)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)N(C)C)C2=O)cc1 Show InChI InChI=1S/C24H28N2O/c1-25(2)22-12-8-18(9-13-22)16-20-6-5-7-21(24(20)27)17-19-10-14-23(15-11-19)26(3)4/h8-17H,5-7H2,1-4H3/b20-16+,21-17+	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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50241499 (2,6-bis(4-(dimethylamino)benzylidene)cyclohexanone...) Show SMILES CN(C)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)N(C)C)C2=O)cc1 Show InChI InChI=1S/C24H28N2O/c1-25(2)22-12-8-18(9-13-22)16-20-6-5-7-21(24(20)27)17-19-10-14-23(15-11-19)26(3)4/h8-17H,5-7H2,1-4H3/b20-16+,21-17+	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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50241496 (2,5-bis(4-hydroxy-3-methoxybenzylidene)cyclopentan...) Show SMILES COc1cc(\C=C2/CC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O Show InChI InChI=1S/C21H20O5/c1-25-19-11-13(3-7-17(19)22)9-15-5-6-16(21(15)24)10-14-4-8-18(23)20(12-14)26-2/h3-4,7-12,22-23H,5-6H2,1-2H3/b15-9+,16-10+	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	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50241496 (2,5-bis(4-hydroxy-3-methoxybenzylidene)cyclopentan...) Show SMILES COc1cc(\C=C2/CC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O Show InChI InChI=1S/C21H20O5/c1-25-19-11-13(3-7-17(19)22)9-15-5-6-16(21(15)24)10-14-4-8-18(23)20(12-14)26-2/h3-4,7-12,22-23H,5-6H2,1-2H3/b15-9+,16-10+	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	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50265082 (1,5-bis(3-chlorophenyl)penta-1,4-dien-3-one | CHEM...) Show SMILES Clc1cccc(\C=C\C(=O)\C=C\c2cccc(Cl)c2)c1 Show InChI InChI=1S/C17H12Cl2O/c18-15-5-1-3-13(11-15)7-9-17(20)10-8-14-4-2-6-16(19)12-14/h1-12H/b9-7+,10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50265082 (1,5-bis(3-chlorophenyl)penta-1,4-dien-3-one | CHEM...) Show SMILES Clc1cccc(\C=C\C(=O)\C=C\c2cccc(Cl)c2)c1 Show InChI InChI=1S/C17H12Cl2O/c18-15-5-1-3-13(11-15)7-9-17(20)10-8-14-4-2-6-16(19)12-14/h1-12H/b9-7+,10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50264887 (2,6-bis(3-chlorobenzylidene)cyclohexanone | CHEMBL...) Show SMILES Clc1cccc(\C=C2/CCC\C(=C/c3cccc(Cl)c3)C2=O)c1 Show InChI InChI=1S/C20H16Cl2O/c21-18-8-1-4-14(12-18)10-16-6-3-7-17(20(16)23)11-15-5-2-9-19(22)13-15/h1-2,4-5,8-13H,3,6-7H2/b16-10+,17-11+	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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50264887 (2,6-bis(3-chlorobenzylidene)cyclohexanone | CHEMBL...) Show SMILES Clc1cccc(\C=C2/CCC\C(=C/c3cccc(Cl)c3)C2=O)c1 Show InChI InChI=1S/C20H16Cl2O/c21-18-8-1-4-14(12-18)10-16-6-3-7-17(20(16)23)11-15-5-2-9-19(22)13-15/h1-2,4-5,8-13H,3,6-7H2/b16-10+,17-11+	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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50240379 ((1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one | 1,5-di...) Show SMILES O=C(\C=C\c1ccccc1)/C=C/c1ccccc1 Show InChI InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50240379 ((1E,4E)-1,5-Diphenyl-penta-1,4-dien-3-one | 1,5-di...) Show SMILES O=C(\C=C\c1ccccc1)/C=C/c1ccccc1 Show InChI InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50265040 (1,5-bis(4-(trifluoromethyl)phenyl)penta-1,4-dien-3...) Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C19H12F6O/c20-18(21,22)15-7-1-13(2-8-15)5-11-17(26)12-6-14-3-9-16(10-4-14)19(23,24)25/h1-12H/b11-5+,12-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50265040 (1,5-bis(4-(trifluoromethyl)phenyl)penta-1,4-dien-3...) Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C19H12F6O/c20-18(21,22)15-7-1-13(2-8-15)5-11-17(26)12-6-14-3-9-16(10-4-14)19(23,24)25/h1-12H/b11-5+,12-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50067040 (((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...) Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50264922 (2,5-bis(4-hydroxybenzylidene)cyclopentanone | CHEM...) Show SMILES Oc1ccc(\C=C2/CC\C(=C/c3ccc(O)cc3)C2=O)cc1 Show InChI InChI=1S/C19H16O3/c20-17-7-1-13(2-8-17)11-15-5-6-16(19(15)22)12-14-3-9-18(21)10-4-14/h1-4,7-12,20-21H,5-6H2/b15-11+,16-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50264922 (2,5-bis(4-hydroxybenzylidene)cyclopentanone | CHEM...) Show SMILES Oc1ccc(\C=C2/CC\C(=C/c3ccc(O)cc3)C2=O)cc1 Show InChI InChI=1S/C19H16O3/c20-17-7-1-13(2-8-17)11-15-5-6-16(19(15)22)12-14-3-9-18(21)10-4-14/h1-4,7-12,20-21H,5-6H2/b15-11+,16-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50264922 (2,5-bis(4-hydroxybenzylidene)cyclopentanone | CHEM...) Show SMILES Oc1ccc(\C=C2/CC\C(=C/c3ccc(O)cc3)C2=O)cc1 Show InChI InChI=1S/C19H16O3/c20-17-7-1-13(2-8-17)11-15-5-6-16(19(15)22)12-14-3-9-18(21)10-4-14/h1-4,7-12,20-21H,5-6H2/b15-11+,16-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50264922 (2,5-bis(4-hydroxybenzylidene)cyclopentanone | CHEM...) Show SMILES Oc1ccc(\C=C2/CC\C(=C/c3ccc(O)cc3)C2=O)cc1 Show InChI InChI=1S/C19H16O3/c20-17-7-1-13(2-8-17)11-15-5-6-16(19(15)22)12-14-3-9-18(21)10-4-14/h1-4,7-12,20-21H,5-6H2/b15-11+,16-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50264886 (2,6-bis(4-(trifluoromethyl)benzylidene)cyclohexano...) Show SMILES FC(F)(F)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(F)(F)F)C2=O)cc1 Show InChI InChI=1S/C22H16F6O/c23-21(24,25)18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)29)13-15-6-10-19(11-7-15)22(26,27)28/h4-13H,1-3H2/b16-12+,17-13+	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	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50264886 (2,6-bis(4-(trifluoromethyl)benzylidene)cyclohexano...) Show SMILES FC(F)(F)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(F)(F)F)C2=O)cc1 Show InChI InChI=1S/C22H16F6O/c23-21(24,25)18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)29)13-15-6-10-19(11-7-15)22(26,27)28/h4-13H,1-3H2/b16-12+,17-13+	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	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50264833 (2,6-bis(4-methoxybenzylidene)cyclohexanone | CHEMB...) Show SMILES COc1ccc(\C=C2/CCC\C(=C/c3ccc(OC)cc3)C2=O)cc1 Show InChI InChI=1S/C22H22O3/c1-24-20-10-6-16(7-11-20)14-18-4-3-5-19(22(18)23)15-17-8-12-21(25-2)13-9-17/h6-15H,3-5H2,1-2H3/b18-14+,19-15+	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	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50264833 (2,6-bis(4-methoxybenzylidene)cyclohexanone | CHEMB...) Show SMILES COc1ccc(\C=C2/CCC\C(=C/c3ccc(OC)cc3)C2=O)cc1 Show InChI InChI=1S/C22H22O3/c1-24-20-10-6-16(7-11-20)14-18-4-3-5-19(22(18)23)15-17-8-12-21(25-2)13-9-17/h6-15H,3-5H2,1-2H3/b18-14+,19-15+	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	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50237760 (1,5-bis(4-hydroxy-3,5-dimethylphenyl)penta-1,4-die...) Show SMILES Cc1cc(\C=C\C(=O)\C=C\c2cc(C)c(O)c(C)c2)cc(C)c1O Show InChI InChI=1S/C21H22O3/c1-13-9-17(10-14(2)20(13)23)5-7-19(22)8-6-18-11-15(3)21(24)16(4)12-18/h5-12,23-24H,1-4H3/b7-5+,8-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50237760 (1,5-bis(4-hydroxy-3,5-dimethylphenyl)penta-1,4-die...) Show SMILES Cc1cc(\C=C\C(=O)\C=C\c2cc(C)c(O)c(C)c2)cc(C)c1O Show InChI InChI=1S/C21H22O3/c1-13-9-17(10-14(2)20(13)23)5-7-19(22)8-6-18-11-15(3)21(24)16(4)12-18/h5-12,23-24H,1-4H3/b7-5+,8-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50258200 ((1E,4E)-1,5-bis(4-hydroxy-3,5-dimethoxyphenyl)pent...) Show SMILES COc1cc(\C=C\C(=O)\C=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O Show InChI InChI=1S/C21H22O7/c1-25-16-9-13(10-17(26-2)20(16)23)5-7-15(22)8-6-14-11-18(27-3)21(24)19(12-14)28-4/h5-12,23-24H,1-4H3/b7-5+,8-6+	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	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50258200 ((1E,4E)-1,5-bis(4-hydroxy-3,5-dimethoxyphenyl)pent...) Show SMILES COc1cc(\C=C\C(=O)\C=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O Show InChI InChI=1S/C21H22O7/c1-25-16-9-13(10-17(26-2)20(16)23)5-7-15(22)8-6-14-11-18(27-3)21(24)19(12-14)28-4/h5-12,23-24H,1-4H3/b7-5+,8-6+	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	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50067040 (((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...) Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50264834 (2,6-bis(4-methylbenzylidene)cyclohexanone | CHEMBL...) Show SMILES Cc1ccc(\C=C2/CCC\C(=C/c3ccc(C)cc3)C2=O)cc1 Show InChI InChI=1S/C22H22O/c1-16-6-10-18(11-7-16)14-20-4-3-5-21(22(20)23)15-19-12-8-17(2)9-13-19/h6-15H,3-5H2,1-2H3/b20-14+,21-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50264834 (2,6-bis(4-methylbenzylidene)cyclohexanone | CHEMBL...) Show SMILES Cc1ccc(\C=C2/CCC\C(=C/c3ccc(C)cc3)C2=O)cc1 Show InChI InChI=1S/C22H22O/c1-16-6-10-18(11-7-16)14-20-4-3-5-21(22(20)23)15-19-12-8-17(2)9-13-19/h6-15H,3-5H2,1-2H3/b20-14+,21-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50265082 (1,5-bis(3-chlorophenyl)penta-1,4-dien-3-one | CHEM...) Show SMILES Clc1cccc(\C=C\C(=O)\C=C\c2cccc(Cl)c2)c1 Show InChI InChI=1S/C17H12Cl2O/c18-15-5-1-3-13(11-15)7-9-17(20)10-8-14-4-2-6-16(19)12-14/h1-12H/b9-7+,10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50265082 (1,5-bis(3-chlorophenyl)penta-1,4-dien-3-one | CHEM...) Show SMILES Clc1cccc(\C=C\C(=O)\C=C\c2cccc(Cl)c2)c1 Show InChI InChI=1S/C17H12Cl2O/c18-15-5-1-3-13(11-15)7-9-17(20)10-8-14-4-2-6-16(19)12-14/h1-12H/b9-7+,10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50067040 (((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...) Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4| Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2B6				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50258200 ((1E,4E)-1,5-bis(4-hydroxy-3,5-dimethoxyphenyl)pent...) Show SMILES COc1cc(\C=C\C(=O)\C=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O Show InChI InChI=1S/C21H22O7/c1-25-16-9-13(10-17(26-2)20(16)23)5-7-15(22)8-6-14-11-18(27-3)21(24)19(12-14)28-4/h5-12,23-24H,1-4H3/b7-5+,8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2B6				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50265038 (1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one | CHEM...) Show SMILES Clc1ccc(\C=C\C(=O)\C=C\c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C17H12Cl2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50265038 (1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one | CHEM...) Show SMILES Clc1ccc(\C=C\C(=O)\C=C\c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C17H12Cl2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50265039 ((1E,4E)‐1,5‐bis(4‐tert‐but...) Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H30O/c1-24(2,3)21-13-7-19(8-14-21)11-17-23(26)18-12-20-9-15-22(16-10-20)25(4,5)6/h7-18H,1-6H3/b17-11+,18-12+	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50265039 ((1E,4E)‐1,5‐bis(4‐tert‐but...) Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)\C=C\c2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H30O/c1-24(2,3)21-13-7-19(8-14-21)11-17-23(26)18-12-20-9-15-22(16-10-20)25(4,5)6/h7-18H,1-6H3/b17-11+,18-12+	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50264962 (2,5-bis(4-hydroxy-3,5-dimethylbenzylidene)cyclopen...) Show SMILES Cc1cc(\C=C2/CC\C(=C/c3cc(C)c(O)c(C)c3)C2=O)cc(C)c1O Show InChI InChI=1S/C23H24O3/c1-13-7-17(8-14(2)21(13)24)11-19-5-6-20(23(19)26)12-18-9-15(3)22(25)16(4)10-18/h7-12,24-25H,5-6H2,1-4H3/b19-11+,20-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50264962 (2,5-bis(4-hydroxy-3,5-dimethylbenzylidene)cyclopen...) Show SMILES Cc1cc(\C=C2/CC\C(=C/c3cc(C)c(O)c(C)c3)C2=O)cc(C)c1O Show InChI InChI=1S/C23H24O3/c1-13-7-17(8-14(2)21(13)24)11-19-5-6-20(23(19)26)12-18-9-15(3)22(25)16(4)10-18/h7-12,24-25H,5-6H2,1-4H3/b19-11+,20-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50265001 (2,5-bis(4-hydroxy-3,5-diisopropylbenzylidene)cyclo...) Show SMILES CC(C)c1cc(\C=C2/CC\C(=C/c3cc(C(C)C)c(O)c(c3)C(C)C)C2=O)cc(C(C)C)c1O Show InChI InChI=1S/C31H40O3/c1-17(2)25-13-21(14-26(18(3)4)30(25)33)11-23-9-10-24(29(23)32)12-22-15-27(19(5)6)31(34)28(16-22)20(7)8/h11-20,33-34H,9-10H2,1-8H3/b23-11+,24-12+	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	2.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50265001 (2,5-bis(4-hydroxy-3,5-diisopropylbenzylidene)cyclo...) Show SMILES CC(C)c1cc(\C=C2/CC\C(=C/c3cc(C(C)C)c(O)c(c3)C(C)C)C2=O)cc(C(C)C)c1O Show InChI InChI=1S/C31H40O3/c1-17(2)25-13-21(14-26(18(3)4)30(25)33)11-23-9-10-24(29(23)32)12-22-15-27(19(5)6)31(34)28(16-22)20(7)8/h11-20,33-34H,9-10H2,1-8H3/b23-11+,24-12+	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	2.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW
					More data for this Ligand-Target Pair

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