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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1a' and Ligand = 'BDBM50009219'   
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
Replicase polyprotein 1a


(Human SARS coronavirus (SARS-CoV))
BDBM50009219
PNG
(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Show SMILES CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O |t:3|
Show InChI InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3
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Article
PubMed
2.15E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human SARS coronavirus (SARS-CoV))
BDBM50009219
PNG
(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Show SMILES CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O |t:3|
Show InChI InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3
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Article
PubMed
n/an/a 2.11E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS-CoV 3CLpro expressed in Escherichia coli BL21 (DE3) using Dabcyl-KNSTLQSGLRKE-Edan as substrate after 60 mins by FRET analysis


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human SARS coronavirus (SARS-CoV))
BDBM50009219
PNG
(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Show SMILES CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O |t:3|
Show InChI InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3
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Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 30 mins by fluoresc...


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human SARS coronavirus (SARS-CoV))
BDBM50009219
PNG
(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Show SMILES CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O |t:3|
Show InChI InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3
PDB

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CHEMBL
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KEGG
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Article
PubMed
n/an/a 6.02E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS-CoV PLpro deubiququitination expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence a...


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human SARS coronavirus (SARS-CoV))
BDBM50009219
PNG
(2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...)
Show SMILES CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O |t:3|
Show InChI InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 7.89E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence assay


Bioorg Med Chem 20: 5928-35 (2012)


Article DOI: 10.1016/j.bmc.2012.07.038
BindingDB Entry DOI: 10.7270/Q2QF8TZ4
More data for this
Ligand-Target Pair