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BDBM50150060 CHEMBL3775692

SMILES: Cc1cc(=O)n(C)c2cc(NS(C)(=O)=O)ccc12

InChI Key: InChIKey=LJTKZAIXTKZSBU-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50150060   
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 PCAF


(Homo sapiens (Human))
BDBM50150060
PNG
(CHEMBL3775692)
Show SMILES Cc1cc(=O)n(C)c2cc(NS(C)(=O)=O)ccc12
Show InChI InChI=1S/C12H14N2O3S/c1-8-6-12(15)14(2)11-7-9(4-5-10(8)11)13-18(3,16)17/h4-7,13H,1-3H3
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 2.10E+4n/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)