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Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase, H3 lysine-79 specific' and Ligand = 'BDBM50396983'   
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))
BDBM50396983
PNG
(CHEMBL2171002)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H23F6N7O4S/c23-21(24,25)10-4-11(22(26,27)28)6-12(5-10)34-20(38)30-2-1-3-40-7-13-15(36)16(37)19(39-13)35-9-33-14-17(29)31-8-32-18(14)35/h4-6,8-9,13,15-16,19,36-37H,1-3,7H2,(H2,29,31,32)(H2,30,34,38)/t13-,15-,16-,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
80n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter


J Med Chem 55: 8066-74 (2012)


Article DOI: 10.1021/jm300917h
More data for this
Ligand-Target Pair