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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM512571'   
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


(2019-nCoV)
BDBM512571
PNG
(acs.jmedchem.1c00409_ST.164)
Show SMILES O=c1n(Cc2ccco2)[se]c2ccccc12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
31n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of dihydrofolate reductasefrom rat liver at 1x10E6 M


Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM512571
PNG
(acs.jmedchem.1c00409_ST.164)
Show SMILES O=c1n(Cc2ccco2)[se]c2ccccc12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 74n/an/an/an/an/an/a


TBA

Assay Description
This is a review article. Please point to the original journal.


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00409
BindingDB Entry DOI: 10.7270/Q2J1069F
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM512571
PNG
(acs.jmedchem.1c00409_ST.164)
Show SMILES O=c1n(Cc2ccco2)[se]c2ccccc12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 74n/an/an/an/an/an/a


TBA

Assay Description
Antagonistic activity against beta-2 adrenergic receptor on isolated guinea pig tracheal strips


Citation and Details
More data for this
Ligand-Target Pair