BDBM91849 Chk1_125

SMILES COC(=O)Cc1ccc2Nc3cc(Nc4ccncc4)ccc3C(=O)Nc2c1

InChI Key InChIKey=UHXSMHRHMWNZNO-UHFFFAOYSA-N

Data  3 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 91849   

TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
CSAR

LigandPNGBDBM91849(Chk1_125)
Show SMILES COC(=O)Cc1ccc2Nc3cc(Nc4ccncc4)ccc3C(=O)Nc2c1
Show InChI InChI=1S/C21H18N4O3/c1-28-20(26)11-13-2-5-17-19(10-13)25-21(27)16-4-3-15(12-18(16)24-17)23-14-6-8-22-9-7-14/h2-10,12,24H,11H2,1H3,(H,22,23)(H,25,27)
Affinity DataKi:  10nMAssay Description:ChemBL affinity - Published Abbott papersMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
CSAR

LigandPNGBDBM91849(Chk1_125)
Show SMILES COC(=O)Cc1ccc2Nc3cc(Nc4ccncc4)ccc3C(=O)Nc2c1
Show InChI InChI=1S/C21H18N4O3/c1-28-20(26)11-13-2-5-17-19(10-13)25-21(27)16-4-3-15(12-18(16)24-17)23-14-6-8-22-9-7-14/h2-10,12,24H,11H2,1H3,(H,22,23)(H,25,27)
Affinity DataKi:  10nMAssay Description:Inhibition of Chk1More data for this Ligand-Target Pair
TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91849(Chk1_125)
Show SMILES COC(=O)Cc1ccc2Nc3cc(Nc4ccncc4)ccc3C(=O)Nc2c1
Show InChI InChI=1S/C21H18N4O3/c1-28-20(26)11-13-2-5-17-19(10-13)25-21(27)16-4-3-15(12-18(16)24-17)23-14-6-8-22-9-7-14/h2-10,12,24H,11H2,1H3,(H,22,23)(H,25,27)
Affinity DataKi:  11.5nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
CSAR

LigandPNGBDBM91849(Chk1_125)
Show SMILES COC(=O)Cc1ccc2Nc3cc(Nc4ccncc4)ccc3C(=O)Nc2c1
Show InChI InChI=1S/C21H18N4O3/c1-28-20(26)11-13-2-5-17-19(10-13)25-21(27)16-4-3-15(12-18(16)24-17)23-14-6-8-22-9-7-14/h2-10,12,24H,11H2,1H3,(H,22,23)(H,25,27)
Affinity DataIC50: 12nMAssay Description:Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)More data for this Ligand-Target Pair