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BDBM50469253 CHEMBL4279198

SMILES: [H][C@@]12C[C@@]3([H])C[C@@](CNc4nc(NCc5ccccc5OCC)ncc4C#N)(C1)C[C@@]([H])(C2)[C@H]3N

InChI Key: InChIKey=DQFFRXNJYORHBF-JSKUAUQASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50469253   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50469253
PNG
(CHEMBL4279198)
Show SMILES [H][C@@]12C[C@@]3([H])C[C@@](CNc4nc(NCc5ccccc5OCC)ncc4C#N)(C1)C[C@@]([H])(C2)[C@H]3N |r,TLB:5:3:32:6.29.28,THB:34:33:32:6.29.28,34:33:29:1.32.28,34:33:5.6.29:1.32.2,5:6:32:33.3.2,2:1:33.3.5:29,2:3:29:1.32.28|
Show InChI InChI=1S/C25H32N6O/c1-2-32-21-6-4-3-5-17(21)13-28-24-29-14-20(12-26)23(31-24)30-15-25-9-16-7-18(10-25)22(27)19(8-16)11-25/h3-6,14,16,18-19,22H,2,7-11,13,15,27H2,1H3,(H2,28,29,30,31)/t16-,18-,19+,22-,25-
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured ...

Bioorg Med Chem 26: 5499-5509 (2018)


Article DOI: 10.1016/j.bmc.2018.09.029
BindingDB Entry DOI: 10.7270/Q2BG2RQT
More data for this
Ligand-Target Pair