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BDBM50234925 CHEMBL4096572

SMILES: Cc1cccc(Nc2cnn(C)c(=O)c2Cl)c1

InChI Key: InChIKey=NFUYTCBSSVZVDF-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 = 50234925   
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
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM50234925
PNG
(CHEMBL4096572)
Show SMILES Cc1cccc(Nc2cnn(C)c(=O)c2Cl)c1
Show InChI InChI=1S/C12H12ClN3O/c1-8-4-3-5-9(6-8)15-10-7-14-16(2)12(17)11(10)13/h3-7,15H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of GSK3103956A from FLAG-6 His-Halo tagged human PCAF bromodomain (715 to 831 residues) incubated for 30 mins in dark by TR-FRET assay


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50234925
PNG
(CHEMBL4096572)
Show SMILES Cc1cccc(Nc2cnn(C)c(=O)c2Cl)c1
Show InChI InChI=1S/C12H12ClN3O/c1-8-4-3-5-9(6-8)15-10-7-14-16(2)12(17)11(10)13/h3-7,15H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of GSK2833930A from human BRD9 incubated for 30 mins in dark by TR-FRET assay


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair