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BDBM50260385 CHEMBL4085649

SMILES: N[C@H](CC1CCC1)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=YSZDHMTXZIMIIL-OWUOFXONNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50260385   
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
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50260385
PNG
(CHEMBL4085649)
Show SMILES N[C@H](CC1CCC1)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C16H24N6O3/c17-9(4-8-2-1-3-8)5-10-12(23)13(24)16(25-10)22-7-21-11-14(18)19-6-20-15(11)22/h6-10,12-13,16,23-24H,1-5,17H2,(H2,18,19,20)/t9-,10-,12-,13-,16-/s2
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.15E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of EHMT1 (unknown origin) preincubated for 5 mins followed by SAM and biotinylated H3K9 peptide addition measured after 120 mins by HTRF a...


Bioorg Med Chem 25: 4579-4594 (2017)

More data for this
Ligand-Target Pair