BDBM9747 2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deriv. 11::tert-butyl N-[(2S)-3,3-dimethyl-1-oxo-1-[(3S)-3-{[1-oxo-1-(prop-2-en-1-ylcarbamoyl)pentan-2-yl]carbamoyl}-2-azabicyclo[2.2.1]heptan-2-yl]butan-2-yl]carbamate

SMILES: CCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC=C

InChI Key: InChIKey=XGSMFFHGIXCNMG-VIMZLGPTSA-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 = 9747   

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))	BDBM9747 (2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...) Show SMILES CCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC=C |r,TLB:14:13:10.9:12| Show InChI InChI=1S/C27H44N4O6/c1-9-11-18(20(32)23(34)28-14-10-2)29-22(33)19-16-12-13-17(15-16)31(19)24(35)21(26(3,4)5)30-25(36)37-27(6,7)8/h10,16-19,21H,2,9,11-15H2,1,3-8H3,(H,28,34)(H,29,33)(H,30,36)/t16?,17?,18?,19-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.50E+3	-7.29	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...				Bioorg Med Chem Lett 16: 1628-32 (2006) Article DOI: 10.1016/j.bmcl.2005.12.046 BindingDB Entry DOI: 10.7270/Q2B856BB
					More data for this Ligand-Target Pair