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SMILES: CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1

InChI Key: InChIKey=SKEIASRRCAPQHX-HRPYSXEFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50137746   
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
Genome polyprotein


(Human rhinovirus B)
BDBM50137746
PNG
(((S)-1-{(1S,3aR,6aS)-4,4-Difluoro-1-[1-((S)-1-phen...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C31H44F2N4O6/c1-7-11-23(26(38)28(40)34-19(6)20-12-9-8-10-13-20)35-27(39)25-21-14-15-31(32,33)22(21)16-37(25)29(41)24(17(2)3)36-30(42)43-18(4)5/h8-10,12-13,17-19,21-25H,7,11,14-16H2,1-6H3,(H,34,40)(H,35,39)(H,36,42)/t19-,21-,22-,23?,24-,25-/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
6.70E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Binding affinity towards Protease using PNA assay in rats


Bioorg Med Chem Lett 14: 263-6 (2003)


BindingDB Entry DOI: 10.7270/Q2VX0FX5
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50137746
PNG
(((S)-1-{(1S,3aR,6aS)-4,4-Difluoro-1-[1-((S)-1-phen...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C31H44F2N4O6/c1-7-11-23(26(38)28(40)34-19(6)20-12-9-8-10-13-20)35-27(39)25-21-14-15-31(32,33)22(21)16-37(25)29(41)24(17(2)3)36-30(42)43-18(4)5/h8-10,12-13,17-19,21-25H,7,11,14-16H2,1-6H3,(H,34,40)(H,35,39)(H,36,42)/t19-,21-,22-,23?,24-,25-/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Protease using replicon assay in rats at 50 microM concentration


Bioorg Med Chem Lett 14: 263-6 (2003)


BindingDB Entry DOI: 10.7270/Q2VX0FX5
More data for this
Ligand-Target Pair