BDBM50264834 2,6-bis(4-methylbenzylidene)cyclohexanone::CHEMBL502160

SMILES Cc1ccc(\C=C2/CCC\C(=C/c3ccc(C)cc3)C2=O)cc1

InChI Key InChIKey=CETXDHNPPYXEOF-OZNQKUEASA-N

Data  4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50264834   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM50264834(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+
Affinity DataIC50: 2.10E+4nMAssay Description:Inhibition of human recombinant CYP1A2More data for this Ligand-Target Pair
TargetTrypanothione reductase(Trypanosoma cruzi)
Universidade Federal de Minas Gerais

Curated by ChEMBL
LigandPNGBDBM50264834(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+
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...More data for this Ligand-Target Pair
TargetGlutathione reductase, mitochondrial(Homo sapiens (Human))
Universidade Federal de Minas Gerais

Curated by ChEMBL
LigandPNGBDBM50264834(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+
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assayMore data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM50264834(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+
Affinity DataIC50: 2.10E+4nMAssay Description:Inhibition of human recombinant CYP1A2More data for this Ligand-Target Pair