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BDBM50443026 CHEMBL3087636

SMILES: CN(CCCNC(=O)OCC1c2ccccc2-c2ccccc12)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12

InChI Key: InChIKey=TVKJKKLGQJCFQK-GSTLAZBSSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443026   
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, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50443026
PNG
(CHEMBL3087636)
Show SMILES CN(CCCNC(=O)OCC1c2ccccc2-c2ccccc12)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|
Show InChI InChI=1S/C30H34N6O5/c1-35(15-24-25(37)26(38)29(41-24)36-14-11-22-27(31)33-17-34-28(22)36)13-6-12-32-30(39)40-16-23-20-9-4-2-7-18(20)19-8-3-5-10-21(19)23/h2-5,7-11,14,17,23-26,29,37-38H,6,12-13,15-16H2,1H3,(H,32,39)(H2,31,33,34)/t24-,25-,26-,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.00E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine as substrate and SAM cofactor


J Med Chem 56: 8972-83 (2013)


Article DOI: 10.1021/jm4007752
BindingDB Entry DOI: 10.7270/Q2D50PDQ
More data for this
Ligand-Target Pair