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PubMed code 32253226

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Replicase polyprotein 1ab


(2019-nCoV)
BDBM430624
PNG
(Beta-D-N4-hydroxycytidine | EIDD-1931 | N(4)-Hydro...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(NO)nc1=O
Show InChI InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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GoogleScholar
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Calu-3 2B4 cells were adsorbed with MOI 0.1 PFU/cell of SARS-CoV-2 (2019-nCoV/USA-WA1/2020 strain) at 37C. Plates were manually rocked every 10 min ...


Sci Transl Med 12: 1-15 (2020)


Article DOI: 10.1126/scitranslmed.abb5883
BindingDB Entry DOI: 10.7270/Q26D5WDN
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM430624
PNG
(Beta-D-N4-hydroxycytidine | EIDD-1931 | N(4)-Hydro...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(NO)nc1=O
Show InChI InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Calu-3 2B4 cells were adsorbed with MOI 0.1 PFU/cell of SARS-CoV-2 (2019-nCoV/USA-WA1/2020 strain) at 37C. Plates were manually rocked every 10 min ...


Sci Transl Med 12: 1-15 (2020)


Article DOI: 10.1126/scitranslmed.abb5883
BindingDB Entry DOI: 10.7270/Q26D5WDN
More data for this
Ligand-Target Pair
3C-like proteinase


(MERS-CoV)
BDBM430624
PNG
(Beta-D-N4-hydroxycytidine | EIDD-1931 | N(4)-Hydro...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(NO)nc1=O
Show InChI InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
At 48 hours prior to infection, Calu-3 2B4 cells were plated in a 96-well black-walled clear bottom plate at 5x104 cells/well. A 10 mM stock of NHC w...


Sci Transl Med 12: 1-15 (2020)


Article DOI: 10.1126/scitranslmed.abb5883
BindingDB Entry DOI: 10.7270/Q26D5WDN
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM430624
PNG
(Beta-D-N4-hydroxycytidine | EIDD-1931 | N(4)-Hydro...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(NO)nc1=O
Show InChI InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...


Sci Transl Med 12: 1-15 (2020)


Article DOI: 10.1126/scitranslmed.abb5883
BindingDB Entry DOI: 10.7270/Q26D5WDN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%