BindingDB logo
myBDB logout

PubMed code 34426525

Compile data set for download or QSAR
Found 6 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)
BDBM484193
PNG
(CDD-1714)
Show SMILES COc1cc(cc(CO)c1OCC(=O)N1CCC(C1)Oc1cccc(c1)C(=O)N(C)C)-c1cccc2[nH]ncc12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PubMed
24n/an/an/an/an/an/an/an/a



Baylor College of Medicine



Assay Description
To determine the Ki values of active compounds, 25 nM Mpro was mixed with increasing concentrations of compounds (from 4 nM to 4,000 nM with twofold ...


Proc Natl Acad Sci U S A 118: (2021)

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


(2019-nCoV)
BDBM484197
PNG
(CDD-1976)
Show SMILES CN(C)C(=O)COc1ccc(cc1C=O)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C18H17N3O3/c1-21(2)18(23)11-24-17-7-6-12(8-13(17)10-22)14-4-3-5-16-15(14)9-19-20-16/h3-10H,11H2,1-2H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PubMed
42n/an/an/an/an/an/an/an/a



Baylor College of Medicine



Assay Description
To determine the Ki values of active compounds, 25 nM Mpro was mixed with increasing concentrations of compounds (from 4 nM to 4,000 nM with twofold ...


Proc Natl Acad Sci U S A 118: (2021)

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


(2019-nCoV)
BDBM484196
PNG
(CDD-1713)
Show SMILES COc1cc(cc(C=O)c1OCC(=O)N(C)C)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem
PubMed
65n/an/an/an/an/an/an/an/a



Baylor College of Medicine



Assay Description
To determine the Ki values of active compounds, 25 nM Mpro was mixed with increasing concentrations of compounds (from 4 nM to 4,000 nM with twofold ...


Proc Natl Acad Sci U S A 118: (2021)

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


(2019-nCoV)
BDBM484198
PNG
(CDD-1777)
Show SMILES CNCc1cc(cc(OC)c1OCC(=O)N(C)C)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C20H24N4O3/c1-21-10-14-8-13(15-6-5-7-17-16(15)11-22-23-17)9-18(26-4)20(14)27-12-19(25)24(2)3/h5-9,11,21H,10,12H2,1-4H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Baylor College of Medicine



Assay Description
To determine the Ki values of active compounds, 25 nM Mpro was mixed with increasing concentrations of compounds (from 4 nM to 4,000 nM with twofold ...


Proc Natl Acad Sci U S A 118: (2021)

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


(2019-nCoV)
BDBM484197
PNG
(CDD-1976)
Show SMILES CN(C)C(=O)COc1ccc(cc1C=O)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C18H17N3O3/c1-21(2)18(23)11-24-17-7-6-12(8-13(17)10-22)14-4-3-5-16-15(14)9-19-20-16/h3-10H,11H2,1-2H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Baylor College of Medicine



Assay Description
Inhibition of SARS-CoV-2 replication in VERO E6 and HEK hACE2 cells was measured using an xCELLigence RTCA HT Analyzer (Agilent Technologies), tracki...


Proc Natl Acad Sci U S A 118: (2021)

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


(2019-nCoV)
BDBM484196
PNG
(CDD-1713)
Show SMILES COc1cc(cc(C=O)c1OCC(=O)N(C)C)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 5.19E+3n/an/an/an/an/an/a



Baylor College of Medicine



Assay Description
Inhibition of SARS-CoV-2 replication in VERO E6 and HEK hACE2 cells was measured using an xCELLigence RTCA HT Analyzer (Agilent Technologies), tracki...


Proc Natl Acad Sci U S A 118: (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%