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BDBM50396984 CHEMBL2171001

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H]1O

InChI Key: InChIKey=VERRXSGYRJSGSO-NVQRDWNXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50396984   
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))
BDBM50396984
PNG
(CHEMBL2171001)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H23F2N7O4S/c21-10-2-3-12(11(22)6-10)28-20(32)24-4-1-5-34-7-13-15(30)16(31)19(33-13)29-9-27-14-17(23)25-8-26-18(14)29/h2-3,6,8-9,13,15-16,19,30-31H,1,4-5,7H2,(H2,23,25,26)(H2,24,28,32)/t13-,15-,16-,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.00E+3n/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)

More data for this
Ligand-Target Pair