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BDBM50150068 CHEMBL3775323

SMILES: CNC(=O)c1cc(OCC(=O)Nc2ccccc2)ccc1OC1CCOCC1

InChI Key: InChIKey=OLSMYKUQDJESEU-UHFFFAOYSA-N

Data: 2 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50150068   
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))
BDBM50150068
PNG
(CHEMBL3775323)
Show SMILES CNC(=O)c1cc(OCC(=O)Nc2ccccc2)ccc1OC1CCOCC1
Show InChI InChI=1S/C21H24N2O5/c1-22-21(25)18-13-17(7-8-19(18)28-16-9-11-26-12-10-16)27-14-20(24)23-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,22,25)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 6.80E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by Alph...


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
3D
3D Structure (crystal)
Histone acetyltransferase PCAF


(Homo sapiens (Human))
BDBM50150068
PNG
(CHEMBL3775323)
Show SMILES CNC(=O)c1cc(OCC(=O)Nc2ccccc2)ccc1OC1CCOCC1
Show InChI InChI=1S/C21H24N2O5/c1-22-21(25)18-13-17(7-8-19(18)28-16-9-11-26-12-10-16)27-14-20(24)23-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,22,25)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 6.80E+3n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His-tagged PCAF (715 to 831 residues) (unknown origin) expressed in Escherichia coli Rosetta cells by isothermal titra...


J Med Chem 59: 1648-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01719
BindingDB Entry DOI: 10.7270/Q27D2X0V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)