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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 = 'BDBM402034'   
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))
BDBM402034
PNG
(5-[[5-[4-[(1-isopropyl-4-piperidyl)methyl]-2-metho...)
Show SMILES COc1cc(CC2CCN(CC2)C(C)C)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
Show InChI InChI=1S/C24H29N7O/c1-16(2)31-8-6-17(7-9-31)10-18-4-5-20(22(11-18)32-3)21-12-23(30-29-21)28-24-15-26-19(13-25)14-27-24/h4-5,11-12,14-17H,6-10H2,1-3H3,(H2,27,28,29,30)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0260n/an/an/an/an/an/a



SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...


US Patent US10973817 (2021)


BindingDB Entry DOI: 10.7270/Q2K93BNS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM402034
PNG
(5-[[5-[4-[(1-isopropyl-4-piperidyl)methyl]-2-metho...)
Show SMILES COc1cc(CC2CCN(CC2)C(C)C)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
Show InChI InChI=1S/C24H29N7O/c1-16(2)31-8-6-17(7-9-31)10-18-4-5-20(22(11-18)32-3)21-12-23(30-29-21)28-24-15-26-19(13-25)14-27-24/h4-5,11-12,14-17H,6-10H2,1-3H3,(H2,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0260n/an/an/an/an/an/a



IRBM-MRL Rome



Assay Description
Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...


J Med Chem 52: 5217-27 (2009)


BindingDB Entry DOI: 10.7270/Q2NK3HCN
More data for this
Ligand-Target Pair