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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 = 'BDBM50196975'   
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))		BDBM50196975
PNG
(CHEMBL245783 | N2-(2,3-difluorobenzyl)-N4-((4-(ami...)
Show SMILES NCC1CCC(CNc2nc(NCc3cccc(F)c3F)ncc2[N+]([O-])=O)CC1 |(5.69,-35.63,;5.7,-34.09,;4.37,-33.32,;3.03,-34.08,;1.7,-33.31,;1.71,-31.78,;.37,-31.01,;.37,-29.47,;-.97,-28.7,;-2.3,-29.48,;-3.64,-28.7,;-4.97,-29.47,;-6.3,-28.7,;-7.64,-29.47,;-8.97,-28.7,;-10.3,-29.46,;-10.31,-31.01,;-8.96,-31.78,;-8.96,-33.32,;-7.64,-31,;-6.3,-31.77,;-3.63,-27.16,;-2.31,-26.39,;-.97,-27.15,;.36,-26.38,;1.7,-27.14,;.36,-24.84,;3.03,-31,;4.37,-31.77,)|
Show InChI InChI=1S/C19H24F2N6O2/c20-15-3-1-2-14(17(15)21)10-24-19-25-11-16(27(28)29)18(26-19)23-9-13-6-4-12(8-22)5-7-13/h1-3,11-13H,4-10,22H2,(H2,23,24,25,26)
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n/an/a 22n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta by FP assay

Bioorg Med Chem Lett 17: 225-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.056
BindingDB Entry DOI: 10.7270/Q2PC3211
More data for this
Ligand-Target Pair