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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk2' and Ligand = 'BDBM50363645'   
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 Chk2


(Homo sapiens (Human))
BDBM50363645
PNG
(DEBROMOHYMENIALDISINE)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1|
Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PDB
PubMed
n/an/a 183n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL




Eur J Med Chem 126: 754-761 (2017)


BindingDB Entry DOI: 10.7270/Q2S75JJV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)