BDBM91966 Chk1_97

SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc(OC)ncc1C

InChI Key InChIKey=GCKWSCXVGBMYDQ-UHFFFAOYSA-N

Data  3 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 4 hits for monomerid = 91966   

TargetCHK1_Kinase(Homo sapiens (Human))
D3R

LigandPNGBDBM91966(Chk1_97)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc(OC)ncc1C
Show InChI InChI=1S/C23H21N3O4/c1-13-12-24-21(29-2)11-17(13)15-5-6-16-19(10-15)25-18-7-4-14(9-22(27)30-3)8-20(18)26-23(16)28/h4-8,10-12,25H,9H2,1-3H3,(H,26,28)
Affinity DataKi:  7.79nMAssay 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))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM91966(Chk1_97)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc(OC)ncc1C
Show InChI InChI=1S/C23H21N3O4/c1-13-12-24-21(29-2)11-17(13)15-5-6-16-19(10-15)25-18-7-4-14(9-22(27)30-3)8-20(18)26-23(16)28/h4-8,10-12,25H,9H2,1-3H3,(H,26,28)
Affinity DataKi:  7.90nMAssay Description:Inhibition of Chk1More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM91966(Chk1_97)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc(OC)ncc1C
Show InChI InChI=1S/C23H21N3O4/c1-13-12-24-21(29-2)11-17(13)15-5-6-16-19(10-15)25-18-7-4-14(9-22(27)30-3)8-20(18)26-23(16)28/h4-8,10-12,25H,9H2,1-3H3,(H,26,28)
Affinity DataKi:  8nMAssay Description:ChemBL affinity - Published Abbott papersMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM91966(Chk1_97)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc(OC)ncc1C
Show InChI InChI=1S/C23H21N3O4/c1-13-12-24-21(29-2)11-17(13)15-5-6-16-19(10-15)25-18-7-4-14(9-22(27)30-3)8-20(18)26-23(16)28/h4-8,10-12,25H,9H2,1-3H3,(H,26,28)
Affinity DataIC50: 8nMAssay Description:Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)More data for this Ligand-Target Pair
In DepthDetails PubMed