Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) for PDB: 5D12
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
TU Dortmund University

Curated by ChEMBL
LigandPNGBDBM50111470(CHEMBL1232944)
Show SMILES C=CC(=O)Nc1ccc2c(Nc3cc[nH]n3)nc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h2-12H,1H2,(H,22,27)(H2,21,23,24,25,26)
Affinity DataIC50: 43nMAssay Description:Inhibition of cSrc T338M/S345C mutant (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assayMore data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
TU Dortmund University

Curated by ChEMBL
LigandPNGBDBM50111470(CHEMBL1232944)
Show SMILES C=CC(=O)Nc1ccc2c(Nc3cc[nH]n3)nc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h2-12H,1H2,(H,22,27)(H2,21,23,24,25,26)
Affinity DataIC50: 65nMAssay Description:Inhibition of cSrc T338M mutant (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assayMore data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
TU Dortmund University

Curated by ChEMBL
LigandPNGBDBM50111470(CHEMBL1232944)
Show SMILES C=CC(=O)Nc1ccc2c(Nc3cc[nH]n3)nc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N6O/c1-2-18(27)22-14-8-9-15-16(12-14)23-19(13-6-4-3-5-7-13)25-20(15)24-17-10-11-21-26-17/h2-12H,1H2,(H,22,27)(H2,21,23,24,25,26)
Affinity DataIC50: 211nMAssay Description:Inhibition of wild type cSrc (251 to 533 residues) (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assayMore data for this Ligand-Target Pair