BDBM17878 Ketoamide inhibitor, 8::tert-butyl N-{1-[(1R,5S)-2-[(1-carbamoyl-4-methyl-1-oxopentan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate

SMILES: CC(C)CC(NC(=O)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(N)=O

InChI Key: InChIKey=FHTWQZRLMPTMOG-XAVVCJAESA-N

Data: 1 KI

PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain 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 = 17878   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
HCV NS3-NS4A Serine Proteinase (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM17878 (Ketoamide inhibitor, 8 | tert-butyl N-{1-[(1R,5S)-...) Show SMILES CC(C)CC(NC(=O)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(N)=O |r| Show InChI InChI=1S/C26H44N4O6/c1-13(2)11-15(18(31)20(27)32)28-21(33)17-16-14(26(16,9)10)12-30(17)22(34)19(24(3,4)5)29-23(35)36-25(6,7)8/h13-17,19H,11-12H2,1-10H3,(H2,27,32)(H,28,33)(H,29,35)/t14-,15?,16-,17?,19?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	480	-8.76	n/a	n/a	n/a	n/a	n/a	6.5	30
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