BDBM3893 (4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-[({[(1S)-1-phenylethyl]carbamoyl}(propyl)amino)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid::Azapeptide-based compound 34

SMILES: CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1

InChI Key: InChIKey=RIXNTYNSJXSSCY-YLNASERESA-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 = 3893   

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)	BDBM3893 ((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...) Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C46H66N8O12/c1-8-22-54(46(65)47-29(6)32-18-14-11-15-19-32)52-43(62)36-23-33(66-26-31-16-12-10-13-17-31)25-53(36)45(64)39(27(3)4)50-44(63)40(28(5)9-2)51-41(60)34(20-21-37(56)57)49-42(61)35(24-38(58)59)48-30(7)55/h10-19,27-29,33-36,39-40H,8-9,20-26H2,1-7H3,(H,47,65)(H,48,55)(H,49,61)(H,50,63)(H,51,60)(H,52,62)(H,56,57)(H,58,59)/t28-,29-,33+,34+,35-,36-,39-,40-/m0/s1	PDB MMDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	7.5	23
Boehringer Ingelheim (Canada) Ltd.					Assay Description The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...				J Med Chem 47: 3788-99 (2004) Article DOI: 10.1021/jm049864b BindingDB Entry DOI: 10.7270/Q2125QTZ
					More data for this Ligand-Target Pair