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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM429296'   
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 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429296
PNG
(jm5b01461, Compound 116)
Show SMILES O=C(On1nnc2ccccc12)C(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C16H10N4O3/c21-15(11-5-6-12-10(9-11)7-8-17-12)16(22)23-20-14-4-2-1-3-13(14)18-19-20/h1-9,17H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.5n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429296
PNG
(jm5b01461, Compound 116)
Show SMILES O=C(On1nnc2ccccc12)C(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C16H10N4O3/c21-15(11-5-6-12-10(9-11)7-8-17-12)16(22)23-20-14-4-2-1-3-13(14)18-19-20/h1-9,17H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair