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BDBM50111463 6-Carbamoyl-4-{2-[3-(2,2-dimethyl-propionylamino)-2-oxo-2H-pyridin-1-yl]-3-phenyl-propionylamino}-hex-2-enoic acid ethyl ester::CHEMBL42513::trans-(2'S,4S)-6-Carbamoyl-4-{2'-[3''-(2''',2'''-dimethylpropionylamino)-2''-oxo-2''H-pyridin-1''-yl]-3'-phenylpropionylamino}hex-2-enoic Acid Ethyl Ester

SMILES: CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)C(C)(C)C)c1=O

InChI Key: InChIKey=PIXJAZSEHYMHES-SLHYTYBUSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111463   
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
Human rhinovirus A protease


(Human rhinovirus B)		BDBM50111463
PNG
(6-Carbamoyl-4-{2-[3-(2,2-dimethyl-propionylamino)-...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)C(C)(C)C)c1=O |r|
Show InChI InChI=1S/C28H36N4O6/c1-5-38-24(34)16-14-20(13-15-23(29)33)30-25(35)22(18-19-10-7-6-8-11-19)32-17-9-12-21(26(32)36)31-27(37)28(2,3)4/h6-12,14,16-17,20,22H,5,13,15,18H2,1-4H3,(H2,29,33)(H,30,35)(H,31,37)/b16-14+/t20-,22-/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/an/an/a 518n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair