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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50112651'   
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)
BDBM50112651
PNG
(4-[(6-Chloro-2H-chromene-3-carbonyl)-amino]-5-(2-o...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)C1=Cc2cc(Cl)ccc2OC1 |r,t:19|
Show InChI InChI=1S/C21H23ClN2O5/c1-2-28-19(25)6-4-17(11-13-7-8-23-20(13)26)24-21(27)15-9-14-10-16(22)3-5-18(14)29-12-15/h3-6,9-10,13,17H,2,7-8,11-12H2,1H3,(H,23,26)(H,24,27)/b6-4+/t13-,17+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 5.10E+3n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
50% effective concentration required to inhibit Human Rhinovirus 1A Protease 3C


J Med Chem 45: 2016-23 (2002)


BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50112651
PNG
(4-[(6-Chloro-2H-chromene-3-carbonyl)-amino]-5-(2-o...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)C1=Cc2cc(Cl)ccc2OC1 |r,t:19|
Show InChI InChI=1S/C21H23ClN2O5/c1-2-28-19(25)6-4-17(11-13-7-8-23-20(13)26)24-21(27)15-9-14-10-16(22)3-5-18(14)29-12-15/h3-6,9-10,13,17H,2,7-8,11-12H2,1H3,(H,23,26)(H,24,27)/b6-4+/t13-,17+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 160n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C


J Med Chem 45: 2016-23 (2002)


BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50112651
PNG
(4-[(6-Chloro-2H-chromene-3-carbonyl)-amino]-5-(2-o...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)C1=Cc2cc(Cl)ccc2OC1 |r,t:19|
Show InChI InChI=1S/C21H23ClN2O5/c1-2-28-19(25)6-4-17(11-13-7-8-23-20(13)26)24-21(27)15-9-14-10-16(22)3-5-18(14)29-12-15/h3-6,9-10,13,17H,2,7-8,11-12H2,1H3,(H,23,26)(H,24,27)/b6-4+/t13-,17+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 460n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
50% effective concentration required to inhibit Human Rhinovirus 10 Protease 3C


J Med Chem 45: 2016-23 (2002)


BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50112651
PNG
(4-[(6-Chloro-2H-chromene-3-carbonyl)-amino]-5-(2-o...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)C1=Cc2cc(Cl)ccc2OC1 |r,t:19|
Show InChI InChI=1S/C21H23ClN2O5/c1-2-28-19(25)6-4-17(11-13-7-8-23-20(13)26)24-21(27)15-9-14-10-16(22)3-5-18(14)29-12-15/h3-6,9-10,13,17H,2,7-8,11-12H2,1H3,(H,23,26)(H,24,27)/b6-4+/t13-,17+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 650n/an/an/an/a



Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
50% effective concentration required to inhibit Human Rhinovirus 2 Protease 3C


J Med Chem 45: 2016-23 (2002)


BindingDB Entry DOI: 10.7270/Q289156B
More data for this
Ligand-Target Pair