BindingDB logo
myBDB logout

BDBM50400416 CHEMBL2178456

SMILES: CCc1c(OCc2ccc(cc2)-c2ccccc2)ccc2c(C)c(CCC(O)=O)c(=O)oc12

InChI Key: InChIKey=DCGJLJXNPSTGCH-UHFFFAOYSA-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 = 50400416   
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
Replicative DNA helicase


(Bacillus anthracis)		BDBM50400416
PNG
(CHEMBL2178456)
Show SMILES CCc1c(OCc2ccc(cc2)-c2ccccc2)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C28H26O5/c1-3-22-25(32-17-19-9-11-21(12-10-19)20-7-5-4-6-8-20)15-13-23-18(2)24(14-16-26(29)30)28(31)33-27(22)23/h4-13,15H,3,14,16-17H2,1-2H3,(H,29,30)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Microbiotix Inc.

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay

J Med Chem 55: 10896-908 (2012)


Article DOI: 10.1021/jm300922h
BindingDB Entry DOI: 10.7270/Q2MS3TWV
More data for this
Ligand-Target Pair