BDBM3887 (4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-2-({[benzyl(methyl)carbamoyl](propyl)amino}carbamoyl)-4-(benzyloxy)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 28

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)Cc1ccccc1

InChI Key: InChIKey=WZCOUGAHCBBTHX-JKNHPCFXSA-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 = 3887   

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)	BDBM3887 ((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-2-({[benzyl(meth...) 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)Cc1ccccc1 |r| Show InChI InChI=1S/C46H66N8O12/c1-8-22-54(46(65)52(7)25-31-16-12-10-13-17-31)51-43(62)36-23-33(66-27-32-18-14-11-15-19-32)26-53(36)45(64)39(28(3)4)49-44(63)40(29(5)9-2)50-41(60)34(20-21-37(56)57)48-42(61)35(24-38(58)59)47-30(6)55/h10-19,28-29,33-36,39-40H,8-9,20-27H2,1-7H3,(H,47,55)(H,48,61)(H,49,63)(H,50,60)(H,51,62)(H,56,57)(H,58,59)/t29-,33+,34+,35-,36-,39-,40-/m0/s1	PDB MMDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+3	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