BDBM91842 Chk1_117

SMILES COC(=O)Cc1ccc2Nc3cc(c(C)cc3C(=O)Nc2c1)-c1ccc(c(OC)c1)[N+]([O-])=O

InChI Key InChIKey=OVISARFWMBEMGJ-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 = 91842   

TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91842(Chk1_117)
Show SMILES COC(=O)Cc1ccc2Nc3cc(c(C)cc3C(=O)Nc2c1)-c1ccc(c(OC)c1)[N+]([O-])=O
Show InChI InChI=1S/C24H21N3O6/c1-13-8-17-19(12-16(13)15-5-7-21(27(30)31)22(11-15)32-2)25-18-6-4-14(10-23(28)33-3)9-20(18)26-24(17)29/h4-9,11-12,25H,10H2,1-3H3,(H,26,29)
Affinity DataKi:  49.4nMAssay Description:33P-Radiometric_Method1More data for this Ligand-Target Pair
Target InfoPDB
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In DepthDetails PubMed
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
CSAR

LigandPNGBDBM91842(Chk1_117)
Show SMILES COC(=O)Cc1ccc2Nc3cc(c(C)cc3C(=O)Nc2c1)-c1ccc(c(OC)c1)[N+]([O-])=O
Show InChI InChI=1S/C24H21N3O6/c1-13-8-17-19(12-16(13)15-5-7-21(27(30)31)22(11-15)32-2)25-18-6-4-14(10-23(28)33-3)9-20(18)26-24(17)29/h4-9,11-12,25H,10H2,1-3H3,(H,26,29)
Affinity DataIC50: 49nMAssay Description:Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)More data for this Ligand-Target Pair
In DepthDetails PubMed