BindingDB logo
myBDB logout

BDBM50460687 CHEMBL4228225

SMILES: CCOC(=O)c1c(N2CCN(CC2)c2ccccc2OC)c2ccccc2n(CC)c1=O

InChI Key: InChIKey=XTGPWIKSXCBUGC-UHFFFAOYSA-N

Data: 1 KI

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 = 50460687   
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
4,4'-diapophytoene synthase


(Staphylococcus aureus)		BDBM50460687
PNG
(CHEMBL4228225)
Show SMILES CCOC(=O)c1c(N2CCN(CC2)c2ccccc2OC)c2ccccc2n(CC)c1=O
Show InChI InChI=1S/C25H29N3O4/c1-4-28-19-11-7-6-10-18(19)23(22(24(28)29)25(30)32-5-2)27-16-14-26(15-17-27)20-12-8-9-13-21(20)31-3/h6-13H,4-5,14-17H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.41E+4n/an/an/an/an/an/an/an/a



CSIR-Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus dehydrosqualene synthase

Bioorg Med Chem Lett 28: 1166-1170 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.007
BindingDB Entry DOI: 10.7270/Q2M32ZDZ
More data for this
Ligand-Target Pair