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BDBM50075610 (E)-(S)-4-[(S)-2-{(S)-3,3-Dimethyl-2-[(5-methyl-isoxazole-3-carbonyl)-amino]-butyrylamino}-3-(4-fluoro-phenyl)-propionylamino]-5-((S)-2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester::CHEMBL21082

SMILES: CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)(C)C

InChI Key: InChIKey=JBRKSGSKGATCEA-CVVFYGBQSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50075610   
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)		BDBM50075610
PNG
((E)-(S)-4-[(S)-2-{(S)-3,3-Dimethyl-2-[(5-methyl-is...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)(C)C
Show InChI InChI=1S/C31H40FN5O7/c1-6-43-25(38)12-11-22(17-20-13-14-33-27(20)39)34-28(40)23(16-19-7-9-21(32)10-8-19)35-30(42)26(31(3,4)5)36-29(41)24-15-18(2)44-37-24/h7-12,15,20,22-23,26H,6,13-14,16-17H2,1-5H3,(H,33,39)(H,34,40)(H,35,42)(H,36,41)/b12-11+/t20-,22+,23-,26+/m0/s1
MMDB

UniProtKB/TrEMBL

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Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Increased percentage of formazan production in drug treated virus infected cells to equal 50% control drug free uninfected cells on serotype 14

J Med Chem 42: 1213-24 (1999)


Article DOI: 10.1021/jm9805384
BindingDB Entry DOI: 10.7270/Q2MW2G9R
More data for this
Ligand-Target Pair