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BDBM50442108 CHEMBL2441074

SMILES: COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCC(F)(F)CC1)C1CCOCC1

InChI Key: InChIKey=JYYXMSRRFMAUHA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50442108   
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))		BDBM50442108
PNG
(CHEMBL2441074)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCC(F)(F)CC1)C1CCOCC1
Show InChI InChI=1S/C30H45F2N5O3/c1-21(2)37-12-5-23(6-13-37)33-29-24-19-26(38-3)27(40-16-4-11-36-14-9-30(31,32)10-15-36)20-25(24)34-28(35-29)22-7-17-39-18-8-22/h19-23H,4-18H2,1-3H3,(H,33,34,35)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of lysine methyltransferase G9a (unknown origin) using [3H]-SAM as substrate after 0.25 hrs by scintillation proximity assay

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