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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C theta type' and Ligand = 'BDBM50302040'   
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))
BDBM50302040
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperazin-1-...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCNCC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C28H26N6O/c1-18-22-6-7-32-25(22)4-3-24(18)33-28-21(14-29)15-31-16-23(28)27-13-20-12-19(2-5-26(20)35-27)17-34-10-8-30-9-11-34/h2-7,12-13,15-16,30,32H,8-11,17H2,1H3,(H,31,33)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta by IMAP fluorescence polarization technology


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Mus musculus)
BDBM50302040
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperazin-1-...)
Show SMILES Cc1c(Nc2c(cncc2-c2cc3cc(CN4CCNCC4)ccc3o2)C#N)ccc2[nH]ccc12
Show InChI InChI=1S/C28H26N6O/c1-18-22-6-7-32-25(22)4-3-24(18)33-28-21(14-29)15-31-16-23(28)27-13-20-12-19(2-5-26(20)35-27)17-34-10-8-30-9-11-34/h2-7,12-13,15-16,30,32H,8-11,17H2,1H3,(H,31,33)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta in C57BL/6 mouse T cells assessed as inhibition of anti-CD3 and anti-CD28-induced IL2 production after 20 to 24 hrs by ELISA


Bioorg Med Chem Lett 19: 5799-802 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.113
BindingDB Entry DOI: 10.7270/Q2QR4Z2Q
More data for this
Ligand-Target Pair