BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 476977   
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)
BDBM476977
PNG
(Inhibitor 2 of SARS-CoV-2 Mpro | US20240092759, Co...)
Show SMILES CCCOc1cc(Cl)cc(c1)-c1cc(cn(-c2cccnc2)c1=O)-c1ccccc1C#N
Show InChI InChI=1S/C26H20ClN3O2/c1-2-10-32-23-12-19(11-21(27)14-23)25-13-20(24-8-4-3-6-18(24)15-28)17-30(26(25)31)22-7-5-9-29-16-22/h3-9,11-14,16-17H,2,10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Yale University



Assay Description
Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...


ACS Med Chem Lett 12: 1325-1332 (2021)


Article DOI: 10.1021/acsmedchemlett.1c00326
BindingDB Entry DOI: 10.7270/Q24J0J74
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM476977
PNG
(Inhibitor 2 of SARS-CoV-2 Mpro | US20240092759, Co...)
Show SMILES CCCOc1cc(Cl)cc(c1)-c1cc(cn(-c2cccnc2)c1=O)-c1ccccc1C#N
Show InChI InChI=1S/C26H20ClN3O2/c1-2-10-32-23-12-19(11-21(27)14-23)25-13-20(24-8-4-3-6-18(24)15-28)17-30(26(25)31)22-7-5-9-29-16-22/h3-9,11-14,16-17H,2,10H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
n/an/a 140n/an/an/an/an/an/a


TBA



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


(2019-nCoV)
BDBM476977
PNG
(Inhibitor 2 of SARS-CoV-2 Mpro | US20240092759, Co...)
Show SMILES CCCOc1cc(Cl)cc(c1)-c1cc(cn(-c2cccnc2)c1=O)-c1ccccc1C#N
Show InChI InChI=1S/C26H20ClN3O2/c1-2-10-32-23-12-19(11-21(27)14-23)25-13-20(24-8-4-3-6-18(24)15-28)17-30(26(25)31)22-7-5-9-29-16-22/h3-9,11-14,16-17H,2,10H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
n/an/a 140n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair