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BDBM17891 2-{2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanamido}-N-(1-carbamoyl-3-cyclobutyl-1-oxopropan-2-yl)-4-methylpentanamide::Ketoamide inhibitor, 27

SMILES: CC(C)CC(NC(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C)C(=O)NC(CC1CCC1)C(=O)C(N)=O

InChI Key: InChIKey=UCZUESLZMSZZSQ-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 = 17891   
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
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM17891
PNG
(2-{2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbuta...)
Show SMILES CC(C)CC(NC(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C)C(=O)NC(CC1CCC1)C(=O)C(N)=O
Show InChI InChI=1S/C25H45N5O5/c1-14(2)12-17(21(33)27-16(18(31)20(26)32)13-15-10-9-11-15)28-22(34)19(24(3,4)5)29-23(35)30-25(6,7)8/h14-17,19H,9-13H2,1-8H3,(H2,26,32)(H,27,33)(H,28,34)(H2,29,30,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 50: 2310-8 (2007)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q27D2SDK
More data for this
Ligand-Target Pair