BindingDB logo
myBDB logout

BDBM50247227 CHEMBL4098348

SMILES: Cl.CCOc1ccc(\C=C\CN(C)Cc2cccc3cc[nH]c23)cc1

InChI Key: InChIKey=BLGJOTKODKHMDA-AATRIKPKSA-N

Data: 1 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 1 hit for monomerid = 50247227   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50247227
PNG
(CHEMBL4098348)
Show SMILES Cl.CCOc1ccc(\C=C\CN(C)Cc2cccc3cc[nH]c23)cc1
Show InChI InChI=1S/C21H24N2O/c1-3-24-20-11-9-17(10-12-20)6-5-15-23(2)16-19-8-4-7-18-13-14-22-21(18)19/h4-14,22H,3,15-16H2,1-2H3/b6-5+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pi...


J Med Chem 61: 224-250 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01300
BindingDB Entry DOI: 10.7270/Q289189X
More data for this
Ligand-Target Pair