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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50427368   
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))		BDBM50427368
PNG
(CHEMBL2326013)
Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1ccc(c(n1)-c1n[nH]c2ncccc12)C(F)(F)F |r|
Show InChI InChI=1S/C21H25F3N6O/c1-12(2)20(3,31)15-11-30(10-9-25-15)16-7-6-14(21(22,23)24)18(27-16)17-13-5-4-8-26-19(13)29-28-17/h4-8,12,15,25,31H,9-11H2,1-3H3,(H,26,28,29)/t15-,20+/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PKC-theta in human PBMC cells assessed as inhibition of IL-2 after 24 hrs by bead-based FLISA assay

J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair