BindingDB logo
myBDB logout

BDBM50075608 (E)-(S)-4-((2R,5S)-2-Benzyl-5-benzylsulfanylcarbonylamino-6-methyl-4-oxo-heptanoylamino)-6-carbamoyl-hex-2-enoic acid ethyl ester::CHEMBL279889

SMILES: CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SCc1ccccc1)C(C)C)Cc1ccccc1

InChI Key: InChIKey=OHSCMFHCLMFTFB-BPUKTADQSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50075608   
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)		BDBM50075608
PNG
((E)-(S)-4-((2R,5S)-2-Benzyl-5-benzylsulfanylcarbon...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SCc1ccccc1)C(C)C)Cc1ccccc1
Show InChI InChI=1S/C32H41N3O6S/c1-4-41-29(38)18-16-26(15-17-28(33)37)34-31(39)25(19-23-11-7-5-8-12-23)20-27(36)30(22(2)3)35-32(40)42-21-24-13-9-6-10-14-24/h5-14,16,18,22,25-26,30H,4,15,17,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)/b18-16+/t25-,26+,30+/m1/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 190n/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% of control drug free uninfected cells on serotype 14

J Med Chem 42: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair