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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase, H3 lysine-79 specific' and Ligand = 'BDBM50400779'   
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
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50400779
PNG
(CHEMBL2204998)
Show SMILES CC(C)n1ncc2c(cc(cc12)-c1ccc(nc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C29H35N7O2/c1-18(2)36-26-14-22(21-6-7-27(30-15-21)35-10-8-34(5)9-11-35)13-23(25(26)17-32-36)28(37)31-16-24-19(3)12-20(4)33-29(24)38/h6-7,12-15,17-18H,8-11,16H2,1-5H3,(H,31,37)(H,33,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DOT1L using core histone as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins


ACS Med Chem Lett 3: 1091-1096 (2012)


Article DOI: 10.1021/ml3003346
BindingDB Entry DOI: 10.7270/Q2NK3G60
More data for this
Ligand-Target Pair