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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-dependent protein kinase' and Ligand = 'BDBM50211805'   
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
cGMP-dependent protein kinase


(Eimeria tenella)
BDBM50211805
PNG
(4-(7-(((3-(dimethylamino)propyl)(methyl)amino)meth...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc2cc(CN(C)CCCN(C)C)ccn12)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C32H36FN7/c1-23(25-9-6-5-7-10-25)35-32-34-17-15-28(36-32)31-30(26-11-13-27(33)14-12-26)37-29-21-24(16-20-40(29)31)22-39(4)19-8-18-38(2)3/h5-7,9-17,20-21,23H,8,18-19,22H2,1-4H3,(H,34,35,36)/t23-/m0/s1
UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Et-PKG


Bioorg Med Chem Lett 17: 3558-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.041
BindingDB Entry DOI: 10.7270/Q20P0ZQH
More data for this
Ligand-Target Pair