BDBM91911 Chk1_45

SMILES COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)N2CCCC2CO)c1

InChI Key InChIKey=BFPAEZRTHKREBG-UHFFFAOYSA-N

Data  1 KI  1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 91911   

TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91911(Chk1_45)
Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)N2CCCC2CO)c1
Show InChI InChI=1S/C26H25N3O5/c1-34-24-13-16(6-9-23(24)31)15-4-7-19-21(11-15)27-20-8-5-17(12-22(20)28-25(19)32)26(33)29-10-2-3-18(29)14-30/h4-9,11-13,18,27,30-31H,2-3,10,14H2,1H3,(H,28,32)
Affinity DataKi:  37.8nMAssay 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

LigandPNGBDBM91911(Chk1_45)
Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)N2CCCC2CO)c1
Show InChI InChI=1S/C26H25N3O5/c1-34-24-13-16(6-9-23(24)31)15-4-7-19-21(11-15)27-20-8-5-17(12-22(20)28-25(19)32)26(33)29-10-2-3-18(29)14-30/h4-9,11-13,18,27,30-31H,2-3,10,14H2,1H3,(H,28,32)
Affinity DataIC50: 38nMAssay Description:Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)More data for this Ligand-Target Pair
In DepthDetails PubMed