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BDBM50353120 CHEMBL1829294

SMILES: CCN1CCCN(CC1)c1nc(NC2CCN(CC2)C(C)C)c2cc(OC)c(OCCCN3CCCC3)cc2n1

InChI Key: InChIKey=IYHZRYFGYDCPKH-UHFFFAOYSA-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 = 50353120   
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))
BDBM50353120
PNG
(CHEMBL1829294)
Show SMILES CCN1CCCN(CC1)c1nc(NC2CCN(CC2)C(C)C)c2cc(OC)c(OCCCN3CCCC3)cc2n1
Show InChI InChI=1S/C31H51N7O2/c1-5-35-14-8-16-38(20-19-35)31-33-27-23-29(40-21-9-15-36-12-6-7-13-36)28(39-4)22-26(27)30(34-31)32-25-10-17-37(18-11-25)24(2)3/h22-25H,5-21H2,1-4H3,(H,32,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 470n/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
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353120
PNG
(CHEMBL1829294)
Show SMILES CCN1CCCN(CC1)c1nc(NC2CCN(CC2)C(C)C)c2cc(OC)c(OCCCN3CCCC3)cc2n1
Show InChI InChI=1S/C31H51N7O2/c1-5-35-14-8-16-38(20-19-35)31-33-27-23-29(40-21-9-15-36-12-6-7-13-36)28(39-4)22-26(27)30(34-31)32-25-10-17-37(18-11-25)24(2)3/h22-25H,5-21H2,1-4H3,(H,32,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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