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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50192433'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50192433
PNG
(9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C21H14N2O3/c1-23-15-8-7-12(24)9-14(15)17-16(23)10-13(11-5-3-2-4-6-11)18-19(17)21(26)22-20(18)25/h2-10,24H,1H3,(H,22,25,26)
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MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50192433
PNG
(9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C21H14N2O3/c1-23-15-8-7-12(24)9-14(15)17-16(23)10-13(11-5-3-2-4-6-11)18-19(17)21(26)22-20(18)25/h2-10,24H,1H3,(H,22,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition at human Chk1 in presence of 4 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair