BindingDB logo
myBDB logout

BDBM50486098 CHEMBL2203894

SMILES:

InChI Key: InChIKey=WQSVAGOHZLUGGP-AVCDYGDRSA-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 = 50486098   
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
Genome polyprotein


(Hepacivirus C)		BDBM50486098
PNG
(CHEMBL2203894)
Show InChI InChI=1S/C43H56N6O9S/c1-3-30-25-43(30,41(52)47-59(54,55)34-15-16-34)46-38(50)36-24-33-26-49(36)40(51)37(27-10-6-4-7-11-27)45-42(53)48-19-17-31(18-20-48)57-21-9-5-8-12-29-22-28-13-14-32(56-2)23-35(28)44-39(29)58-33/h3,8,12-14,22-23,27,30-31,33-34,36-37H,1,4-7,9-11,15-21,24-26H2,2H3,(H,45,53)(H,46,50)(H,47,52)/b12-8+/t30-,33-,36+,37+,43-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay

Bioorg Med Chem Lett 22: 7207-13 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.061
BindingDB Entry DOI: 10.7270/Q28D0041
More data for this
Ligand-Target Pair