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SMILES: CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)C2SCCS2)c1=O

InChI Key: InChIKey=VWZTWMQQIUUEMI-MMTLXRNNSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50111457   
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)
BDBM50111457
PNG
(6-Carbamoyl-4-(2-{3-[([1,3]dithiolane-2-carbonyl)-...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)C2SCCS2)c1=O |r|
Show InChI InChI=1S/C27H32N4O6S2/c1-2-37-23(33)13-11-19(10-12-22(28)32)29-24(34)21(17-18-7-4-3-5-8-18)31-14-6-9-20(26(31)36)30-25(35)27-38-15-16-39-27/h3-9,11,13-14,19,21,27H,2,10,12,15-17H2,1H3,(H2,28,32)(H,29,34)(H,30,35)/b13-11+/t19-,21-/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 104n/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
Genome polyprotein


(Human rhinovirus B)
BDBM50111457
PNG
(6-Carbamoyl-4-(2-{3-[([1,3]dithiolane-2-carbonyl)-...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)C2SCCS2)c1=O |r|
Show InChI InChI=1S/C27H32N4O6S2/c1-2-37-23(33)13-11-19(10-12-22(28)32)29-24(34)21(17-18-7-4-3-5-8-18)31-14-6-9-20(26(31)36)30-25(35)27-38-15-16-39-27/h3-9,11,13-14,19,21,27H,2,10,12,15-17H2,1H3,(H2,28,32)(H,29,34)(H,30,35)/b13-11+/t19-,21-/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 1.41E+3n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 10)


J Med Chem 45: 1607-23 (2002)


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


(Human rhinovirus B)
BDBM50111457
PNG
(6-Carbamoyl-4-(2-{3-[([1,3]dithiolane-2-carbonyl)-...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)C2SCCS2)c1=O |r|
Show InChI InChI=1S/C27H32N4O6S2/c1-2-37-23(33)13-11-19(10-12-22(28)32)29-24(34)21(17-18-7-4-3-5-8-18)31-14-6-9-20(26(31)36)30-25(35)27-38-15-16-39-27/h3-9,11,13-14,19,21,27H,2,10,12,15-17H2,1H3,(H2,28,32)(H,29,34)(H,30,35)/b13-11+/t19-,21-/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 1.18E+3n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 1A)


J Med Chem 45: 1607-23 (2002)


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