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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 = 'BDBM16589'   
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))
BDBM16589
PNG
(4-[3-(1H-1,3-benzodiazol-2-yl)-1H-indazol-6-yl]-2-...)
Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)
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Article
PubMed
26 -44.0n/an/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
For Ki determinations a matrix of inhibitor and substrate concentrations were tested. Inhibitor concentrations were tested from four times IC50 with ...


Bioorg Med Chem 14: 1792-804 (2006)


Article DOI: 10.1016/j.bmc.2005.10.022
BindingDB Entry DOI: 10.7270/Q2154F9K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM16589
PNG
(4-[3-(1H-1,3-benzodiazol-2-yl)-1H-indazol-6-yl]-2-...)
Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 42n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...


Bioorg Med Chem 14: 1792-804 (2006)


Article DOI: 10.1016/j.bmc.2005.10.022
BindingDB Entry DOI: 10.7270/Q2154F9K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)