BDBM91968 Chk1_99

SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(N)cc3NC2=O)c1

InChI Key InChIKey=CWVNCICHESNJLX-UHFFFAOYSA-N

Data  1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 91968   

TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91968(Chk1_99)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(N)cc3NC2=O)c1
Show InChI InChI=1S/C20H16N4O4/c1-28-19-9-12(3-7-18(19)24(26)27)11-2-5-14-16(8-11)22-15-6-4-13(21)10-17(15)23-20(14)25/h2-10,22H,21H2,1H3,(H,23,25)
Affinity DataKi:  16.6nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
In DepthDetails PubMed
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
CSAR

LigandPNGBDBM91968(Chk1_99)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(N)cc3NC2=O)c1
Show InChI InChI=1S/C20H16N4O4/c1-28-19-9-12(3-7-18(19)24(26)27)11-2-5-14-16(8-11)22-15-6-4-13(21)10-17(15)23-20(14)25/h2-10,22H,21H2,1H3,(H,23,25)
Affinity DataIC50: 17nMAssay Description:Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)More data for this Ligand-Target Pair
In DepthDetails PubMed