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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 = 'BDBM50517671'   
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))		BDBM50517671
PNG
(CHEMBL4545726)
Show SMILES FC(F)(F)Oc1ccccc1CNc1ncc(C#N)c(NCC23CC4CC(C2)C(NC2CCOCC2)C(C4)C3)n1 |TLB:37:36:27:25.24.23,THB:29:28:27:25.24.23,37:24:28.36.38:27,23:24:28:38.22.27,23:22:28:25.37.24,(38.25,-40.27,;38.24,-38.86,;37,-39.89,;39.5,-39.88,;38.24,-37.32,;36.9,-36.56,;35.58,-37.33,;34.23,-36.56,;34.23,-35.02,;35.57,-34.25,;36.9,-35.02,;38.23,-34.26,;38.23,-32.72,;39.57,-31.95,;40.9,-32.72,;42.24,-31.95,;42.24,-30.39,;43.56,-29.62,;44.89,-28.84,;40.9,-29.63,;40.9,-28.09,;39.56,-27.32,;38.22,-28.09,;38.65,-29.54,;37.45,-30.5,;36.31,-29.63,;35.85,-28.29,;37,-27.35,;34.11,-28.16,;32.66,-27.64,;31.48,-28.63,;30.04,-28.1,;28.86,-29.09,;29.13,-30.61,;30.58,-31.13,;31.76,-30.14,;35.38,-29.06,;35.82,-30.51,;36.6,-28.06,;39.57,-30.4,)|
Show InChI InChI=1S/C29H35F3N6O2/c30-29(31,32)40-24-4-2-1-3-19(24)15-34-27-35-16-22(14-33)26(38-27)36-17-28-11-18-9-20(12-28)25(21(10-18)13-28)37-23-5-7-39-8-6-23/h1-4,16,18,20-21,23,25,37H,5-13,15,17H2,(H2,34,35,36,38)
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n/an/a<1n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length PKCtheta using biotin-labelled STK substrate-1 as substrate after 60 mins by fluorescence assay

Bioorg Med Chem 27: 790-799 (2019)


Article DOI: 10.1016/j.bmc.2019.01.019
BindingDB Entry DOI: 10.7270/Q2154MFF
More data for this
Ligand-Target Pair