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BDBM9676 2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-({1-[({[(S)-(dimethylcarbamoyl)(phenyl)methyl]carbamoyl}methyl)carbamoyl]-1-oxopentan-2-yl}carbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate::N-[(2-Methylpropoxy)carbonyl]-(S)-cyclohexylglycyl-N-[1-[2-[[2[[2-(dimethylamino)-2-oxo-1(S)-phenylethyl]amino]-2-oxoethyl]-amino]-1,2-dioxoethyl]butyl]prolinamide::SCH446211 (SCH6) Analog 9

SMILES: CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1

InChI Key: InChIKey=SMBBCUHOBHTHKQ-AGDVDVTHSA-N

Data: 1 KI

PDB links: 4 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 = 9676   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM9676
PNG
(2-methylpropyl N-[(1S)-1-cyclohexyl-2-[(2S)-2-({1-...)
Show SMILES CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C36H54N6O8/c1-6-14-26(31(44)33(46)37-21-28(43)39-29(34(47)41(4)5)24-15-9-7-10-16-24)38-32(45)27-19-13-20-42(27)35(48)30(25-17-11-8-12-18-25)40-36(49)50-22-23(2)3/h7,9-10,15-16,23,25-27,29-30H,6,8,11-14,17-22H2,1-5H3,(H,37,46)(H,38,45)(H,39,43)(H,40,49)/t26?,27-,29-,30-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.00E+4 -6.93n/an/an/an/an/a6.530



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 49: 2750-7 (2006)


Article DOI: 10.1021/jm060077j
BindingDB Entry DOI: 10.7270/Q2V98691
More data for this
Ligand-Target Pair