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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CAMK2B' and Ligand = 'BDBM50388936'   
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
CAMK2B


(Homo sapiens (Human))
BDBM50388936
PNG
(CHEMBL2063416)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(OCC(=O)NCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc(O)c2c(=O)c1O |r|
Show InChI InChI=1S/C33H40N4O12S/c38-21-6-5-18(13-22(21)39)32-31(44)30(43)28-23(40)14-19(15-24(28)49-32)48-16-27(42)35-8-10-47-12-11-46-9-7-34-26(41)4-2-1-3-25-29-20(17-50-25)36-33(45)37-29/h5-6,13-15,20,25,29,38-40,44H,1-4,7-12,16-17H2,(H,34,41)(H,35,42)(H2,36,37,45)/t20-,25-,29-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.59E+4n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibition of CAMK2 using autocamtide-2 as substrate after 30 mins by PKLight assay


Bioorg Med Chem 19: 4710-20 (2011)


Article DOI: 10.1016/j.bmc.2011.07.005
More data for this
Ligand-Target Pair