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BDBM50517666 CHEMBL4585918

SMILES: FC(F)(F)Oc1ccccc1CNc1ncc(C#N)c(NCC23CC4CC(C2)C(NC2CCCCC2)C(C4)C3)n1

InChI Key: InChIKey=QKPWYYAZAUTRCQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50517666   
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))		BDBM50517666
PNG
(CHEMBL4585918)
Show SMILES FC(F)(F)Oc1ccccc1CNc1ncc(C#N)c(NCC23CC4CC(C2)C(NC2CCCCC2)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,(38.54,-18.1,;38.53,-16.69,;37.29,-17.72,;39.79,-17.71,;38.53,-15.15,;37.19,-14.38,;35.86,-15.16,;34.52,-14.38,;34.52,-12.84,;35.86,-12.08,;37.19,-12.85,;38.52,-12.08,;38.52,-10.54,;39.86,-9.77,;41.19,-10.54,;42.53,-9.77,;42.52,-8.22,;43.85,-7.44,;45.18,-6.67,;41.19,-7.46,;41.18,-5.92,;39.85,-5.15,;38.51,-5.92,;38.94,-7.37,;37.74,-8.32,;36.6,-7.45,;36.14,-6.11,;37.29,-5.17,;34.4,-5.99,;32.95,-5.46,;31.77,-6.46,;30.32,-5.92,;29.15,-6.91,;29.41,-8.43,;30.86,-8.96,;32.04,-7.96,;35.67,-6.89,;36.11,-8.34,;36.89,-5.88,;39.86,-8.23,)|
Show InChI InChI=1S/C30H37F3N6O/c31-30(32,33)40-25-9-5-4-6-20(25)16-35-28-36-17-23(15-34)27(39-28)37-18-29-12-19-10-21(13-29)26(22(11-19)14-29)38-24-7-2-1-3-8-24/h4-6,9,17,19,21-22,24,26,38H,1-3,7-8,10-14,16,18H2,(H2,35,36,37,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/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
More data for this
Ligand-Target Pair