Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with all data for entry = 50012412
TargetCytochrome P450 2C19(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50557457(CHEMBL4742712)
Show SMILES FC(F)(C(=O)NCc1ccc2C(=O)N(Cc2c1)C1CCC(=O)NC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)
Affinity DataIC50: 1.53E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50557457(CHEMBL4742712)
Show SMILES FC(F)(C(=O)NCc1ccc2C(=O)N(Cc2c1)C1CCC(=O)NC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
TargetDNA-binding protein Ikaros/Protein cereblon(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50557457(CHEMBL4742712)
Show SMILES FC(F)(C(=O)NCc1ccc2C(=O)N(Cc2c1)C1CCC(=O)NC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)
Affinity DataEC50: >1.00E+4nMAssay Description:Protac activity at CRBN/IKZF1 (unknown origin) assessed as IKZF1 degradationMore data for this Ligand-Target Pair