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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 = 'BDBM50311945'   
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))
BDBM50311945
PNG
(4-(2-(5-cyano-4-(4-methyl-1H-indol-5-ylamino)pyrid...)
Show SMILES Cc1c(Nc2c(\C=C\c3ccc(cc3)S(N)(=O)=O)cncc2C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C23H19N5O2S/c1-15-20-10-11-27-22(20)9-8-21(15)28-23-17(13-26-14-18(23)12-24)5-2-16-3-6-19(7-4-16)31(25,29)30/h2-11,13-14,27H,1H3,(H,26,28)(H2,25,29,30)/b5-2+
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40n/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