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BDBM420293 alpha-ketoamide inhibitor 13a

SMILES: CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NC2CC2)c1=O

InChI Key: InChIKey=JYNPCEUBSGNIIR-VJBMBRPKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 420293   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Replicase polyprotein 1ab


(Severe acute respiratory syndrome coronavirus 2)		BDBM420293
PNG
(alpha-ketoamide inhibitor 13a)
Show SMILES CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NC2CC2)c1=O
Show InChI InChI=1S/C30H43N5O7/c1-30(2,3)42-29(41)34-21-10-7-15-35(28(21)40)23(16-18-8-5-4-6-9-18)26(38)33-22(17-19-13-14-31-25(19)37)24(36)27(39)32-20-11-12-20/h7,10,15,18-20,22-23H,4-6,8-9,11-14,16-17H2,1-3H3,(H,31,37)(H,32,39)(H,33,38)(H,34,41)/t19-,22-,23-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
UniChem
Article
PubMed
n/an/a 2.39E+3n/an/an/an/an/an/a



University of Lubeck



Assay Description
A fluorescent substrate harboring the cleavage site (indicated by the arrow, ↓) of SARS-CoV-2 Mpro(Dabcyl-KTSAVLQ↓SGFRKM-E(Edans)-NH2; GL...

Science 368: 409-412 (2020)


Article DOI: 10.1126/science.abb3405
BindingDB Entry DOI: 10.7270/Q2CN7689
More data for this
Ligand-Target Pair