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SMILES: CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](O)C(C)C)C(C)C)C(=O)C(=O)NC1CC1

InChI Key: InChIKey=FHPUCYOSXRUOTM-MELOVQSVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50137751   
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)		BDBM50137751
PNG
((1S,3aR,6aS)-4,4-Difluoro-2-[(S)-2-((R)-2-hydroxy-...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](O)C(C)C)C(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C27H42F2N4O6/c1-6-7-18(22(35)25(38)30-15-8-9-15)31-23(36)20-16-10-11-27(28,29)17(16)12-33(20)26(39)19(13(2)3)32-24(37)21(34)14(4)5/h13-21,34H,6-12H2,1-5H3,(H,30,38)(H,31,36)(H,32,37)/t16-,17-,18?,19-,20-,21+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 1.65E+4n/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