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BDBM27067 2-[(3S,4S,13S,16S,17R,19S)-3-({[(2S)-1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoyl}amino)-4,18,18-trimethyl-2,15-dioxo-5-oxa-1,14-diazatricyclo[14.4.0.0^{17,19}]icosan-13-yl]-2-oxo-N-(prop-2-en-1-yl)acetamide::Macrocyclic Peptidomimetic, 35

SMILES: C[C@@H]1OCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@H]1NC(=O)N[C@H](CN1C(=O)CC(C)(C)CC1=O)C(C)(C)C)C3(C)C)C(=O)C(=O)NCC=C

InChI Key: InChIKey=WWTMZHVKSGOHLS-RFEYEYHASA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 27067   
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))
BDBM27067
PNG
(2-[(3S,4S,13S,16S,17R,19S)-3-({[(2S)-1-(4,4-dimeth...)
Show SMILES C[C@@H]1OCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@H]1NC(=O)N[C@H](CN1C(=O)CC(C)(C)CC1=O)C(C)(C)C)C3(C)C)C(=O)C(=O)NCC=C |r|
Show InChI InChI=1S/C39H62N6O8/c1-10-17-40-34(50)32(48)25-16-14-12-11-13-15-18-53-23(2)30(35(51)45-21-24-29(39(24,8)9)31(45)33(49)41-25)43-36(52)42-26(37(3,4)5)22-44-27(46)19-38(6,7)20-28(44)47/h10,23-26,29-31H,1,11-22H2,2-9H3,(H,40,50)(H,41,49)(H2,42,43,52)/t23-,24-,25-,26+,29-,30-,31-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
7 -11.3n/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 52: 700-8 (2009)


Article DOI: 10.1021/jm801201u
BindingDB Entry DOI: 10.7270/Q2XK8CW3
More data for this
Ligand-Target Pair