BDBM3885 (4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-2-{[(benzylcarbamoyl)(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 26

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)NCc1ccccc1

InChI Key: InChIKey=OKRNLCHFEMYBGU-YEFARLPMSA-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 = 3885   

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)	BDBM3885 ((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-2-{[(benzylcarba...) 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)NCc1ccccc1 |r| Show InChI InChI=1S/C45H64N8O12/c1-7-21-53(45(64)46-24-30-15-11-9-12-16-30)51-42(61)35-22-32(65-26-31-17-13-10-14-18-31)25-52(35)44(63)38(27(3)4)49-43(62)39(28(5)8-2)50-40(59)33(19-20-36(55)56)48-41(60)34(23-37(57)58)47-29(6)54/h9-18,27-28,32-35,38-39H,7-8,19-26H2,1-6H3,(H,46,64)(H,47,54)(H,48,60)(H,49,62)(H,50,59)(H,51,61)(H,55,56)(H,57,58)/t28-,32+,33+,34-,35-,38-,39-/m0/s1	PDB MMDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	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