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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein kinase C theta type' and Ligand = 'BDBM50311953'   
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
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50311953
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-methylpipe...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C28H28N6O2S/c1-20-25-10-11-31-27(25)9-8-26(20)32-28-22(18-30-19-23(28)17-29)7-6-21-4-3-5-24(16-21)37(35,36)34-14-12-33(2)13-15-34/h3-11,16,18-19,31H,12-15H2,1-2H3,(H,30,32)/b7-6+
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.490n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair