Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) for PDB: 2QLQ
TargetProto-oncogene tyrosine-protein kinase Src [251-533,S345C](Gallus gallus (Chicken))
Chemical Genomics Centre of the Max Planck Society

LigandPNGBDBM4583((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
Affinity DataIC50: 236nMpH: 7.5 T: 2°CAssay Description:IC50 values were determined with the Z lyte assay system (Invitrogen). The reactions were performed in 384-well small volume plates from Greiner (#7...More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src [251-533,T338M,S345C](Gallus gallus (Chicken))
Chemical Genomics Centre of the Max Planck Society

LigandPNGBDBM4583((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
Affinity DataIC50: 5.71E+3nMpH: 7.5 T: 2°CAssay Description:IC50 values were determined with the Z lyte assay system (Invitrogen). The reactions were performed in 384-well small volume plates from Greiner (#7...More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Gallus gallus (Chicken))
Covalution Pharma BV

Curated by ChEMBL
LigandPNGBDBM4583((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
Affinity DataIC50: 2.70E+4nMAssay Description:Inhibition of chicken c-SrcMore data for this Ligand-Target Pair