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BDBM50051120 CHEMBL3318288

SMILES: COc1cc2nc(nc(NCCCCN3CCCC3)c2cc1OC)N1CCCC1

InChI Key: InChIKey=HRWKLTUTJDOVJT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50051120   
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
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051120
PNG
(CHEMBL3318288)
Show SMILES COc1cc2nc(nc(NCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C22H33N5O2/c1-28-19-15-17-18(16-20(19)29-2)24-22(27-13-7-8-14-27)25-21(17)23-9-3-4-10-26-11-5-6-12-26/h15-16H,3-14H2,1-2H3,(H,23,24,25)
PDB

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PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair