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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1a' and Ligand = 'BDBM419129'   
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 1a


(Human SARS coronavirus (SARS-CoV))		BDBM419129
PNG
(3CLpro inhibitor 6h)
Show SMILES CC(C)C[C@@H](NC(=O)OC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O
Show InChI InChI=1S/C20H33F2N3O8S/c1-11(2)9-14(25-19(29)33-13-3-6-20(21,22)7-4-13)17(27)24-15(18(28)34(30,31)32)10-12-5-8-23-16(12)26/h11-15,18,28H,3-10H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/p-1/t12?,14-,15-,18?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Wichita State University



Assay Description
The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...

Sci Transl Med 12: (2020)


Article DOI: 10.1126/scitranslmed.abc5332
BindingDB Entry DOI: 10.7270/Q21J9D52
More data for this
Ligand-Target Pair