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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Protein G9a (G9a)' and Ligand = 'BDBM50353126'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353126
PNG
(CHEMBL1829300)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCCC1
Show InChI InChI=1S/C29H46N6O2/c1-22(2)34-17-10-23(11-18-34)30-28-24-20-26(36-3)27(37-19-9-14-33-12-7-8-13-33)21-25(24)31-29(32-28)35-15-5-4-6-16-35/h20-23H,4-19H2,1-3H3,(H,30,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


J Med Chem 54: 6139-50 (2011)


Article DOI: 10.1021/jm200903z
BindingDB Entry DOI: 10.7270/Q237793P
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353126
PNG
(CHEMBL1829300)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCCC1
Show InChI InChI=1S/C29H46N6O2/c1-22(2)34-17-10-23(11-18-34)30-28-24-20-26(36-3)27(37-19-9-14-33-12-7-8-13-33)21-25(24)31-29(32-28)35-15-5-4-6-16-35/h20-23H,4-19H2,1-3H3,(H,30,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of lysine methyltransferase G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 cellular level by immunofluorescence in-cell We...


J Med Chem 56: 8931-42 (2013)


Article DOI: 10.1021/jm401480r
BindingDB Entry DOI: 10.7270/Q2NZ892T
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353126
PNG
(CHEMBL1829300)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCCC1
Show InChI InChI=1S/C29H46N6O2/c1-22(2)34-17-10-23(11-18-34)30-28-24-20-26(36-3)27(37-19-9-14-33-12-7-8-13-33)21-25(24)31-29(32-28)35-15-5-4-6-16-35/h20-23H,4-19H2,1-3H3,(H,30,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay


J Med Chem 54: 6139-50 (2011)


Article DOI: 10.1021/jm200903z
BindingDB Entry DOI: 10.7270/Q237793P
More data for this
Ligand-Target Pair