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BDBM50010379 CHEMBL3263625

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCCc2ccccc2)[C@@H](O)[C@H]1O

InChI Key: InChIKey=AIAFDOPYJRLNEV-SCFUHWHPSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50010379   
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
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50010379
PNG
(CHEMBL3263625)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCCc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O3/c19-16-13-17(21-9-20-16)23(10-22-13)18-15(25)14(24)12(26-18)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12,14-15,18,24-25H,4,7-8H2,(H2,19,20,21)/t12-,14-,15-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of methyltransferase activity of EHMT2 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


Citation and Details

Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens)
BDBM50010379
PNG
(CHEMBL3263625)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCCc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O3/c19-16-13-17(21-9-20-16)23(10-22-13)18-15(25)14(24)12(26-18)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12,14-15,18,24-25H,4,7-8H2,(H2,19,20,21)/t12-,14-,15-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.35E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of methyltransferase activity of EHMT1 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


Citation and Details

Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair