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BDBM50443017 CHEMBL3087504

SMILES: CC(C)(C)c1ccc(NC(=O)NCCCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1

InChI Key: InChIKey=IXJOUNOYAHCLFL-WGQQHEPDSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443017   
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 H3-K79 methyltransferase (DOT1L)


(Homo sapiens (Human))
BDBM50443017
PNG
(CHEMBL3087504)
Show SMILES CC(C)(C)c1ccc(NC(=O)NCCCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1
Show InChI InChI=1S/C24H33N7O4S/c1-24(2,3)14-5-7-15(8-6-14)30-23(34)26-9-4-10-36-11-16-18(32)19(33)22(35-16)31-13-29-17-20(25)27-12-28-21(17)31/h5-8,12-13,16,18-19,22,32-33H,4,9-11H2,1-3H3,(H2,25,27,28)(H2,26,30,34)/t16-,18-,19-,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
70n/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)

More data for this
Ligand-Target Pair