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BDBM50010381 CHEMBL3263627

SMILES: COc1ccc(CC(N)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1OC

InChI Key: InChIKey=GARVPTMYQFUMCZ-CFIDXFGRSA-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 = 50010381   
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))
BDBM50010381
PNG
(CHEMBL3263627)
Show SMILES COc1ccc(CC(N)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1OC
Show InChI InChI=1S/C20H26N6O5/c1-29-12-4-3-10(6-13(12)30-2)5-11(21)7-14-16(27)17(28)20(31-14)26-9-25-15-18(22)23-8-24-19(15)26/h3-4,6,8-9,11,14,16-17,20,27-28H,5,7,21H2,1-2H3,(H2,22,23,24)/t11?,14-,16-,17-,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.57E+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)
BDBM50010381
PNG
(CHEMBL3263627)
Show SMILES COc1ccc(CC(N)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1OC
Show InChI InChI=1S/C20H26N6O5/c1-29-12-4-3-10(6-13(12)30-2)5-11(21)7-14-16(27)17(28)20(31-14)26-9-25-15-18(22)23-8-24-19(15)26/h3-4,6,8-9,11,14,16-17,20,27-28H,5,7,21H2,1-2H3,(H2,22,23,24)/t11?,14-,16-,17-,20-/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 1.47E+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