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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50111454'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Genome polyprotein


(Human rhinovirus B)
BDBM50111454
PNG
(4-(3-(4-Fluoro-phenyl)-2-{3-[(5-methyl-isoxazole-3...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C30H32FN5O7/c1-3-42-26(37)11-10-22(17-20-12-13-32-27(20)38)33-29(40)25(16-19-6-8-21(31)9-7-19)36-14-4-5-23(30(36)41)34-28(39)24-15-18(2)43-35-24/h4-11,14-15,20,22,25H,3,12-13,16-17H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)/b11-10+/t20-,22+,25-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 2n/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)
BDBM50111454
PNG
(4-(3-(4-Fluoro-phenyl)-2-{3-[(5-methyl-isoxazole-3...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C30H32FN5O7/c1-3-42-26(37)11-10-22(17-20-12-13-32-27(20)38)33-29(40)25(16-19-6-8-21(31)9-7-19)36-14-4-5-23(30(36)41)34-28(39)24-15-18(2)43-35-24/h4-11,14-15,20,22,25H,3,12-13,16-17H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)/b11-10+/t20-,22+,25-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 4n/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)
BDBM50111454
PNG
(4-(3-(4-Fluoro-phenyl)-2-{3-[(5-methyl-isoxazole-3...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C30H32FN5O7/c1-3-42-26(37)11-10-22(17-20-12-13-32-27(20)38)33-29(40)25(16-19-6-8-21(31)9-7-19)36-14-4-5-23(30(36)41)34-28(39)24-15-18(2)43-35-24/h4-11,14-15,20,22,25H,3,12-13,16-17H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)/b11-10+/t20-,22+,25-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 15n/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