BDBM476978 Inhibitor 3 of SARS-CoV-2 Mpro::US20240092759, Compound 39

SMILES: c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)OCC4CC4)c5cccnc5

InChI Key: InChIKey=UIXRRGFIAVPQEF-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 476978   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Replicase polyprotein 1ab (2019-nCoV)	BDBM476978 (Inhibitor 3 of SARS-CoV-2 Mpro | US20240092759, Co...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476978 (Inhibitor 3 of SARS-CoV-2 Mpro | US20240092759, Co...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476978 (Inhibitor 3 of SARS-CoV-2 Mpro | US20240092759, Co...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	980	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (2019-nCoV)	BDBM476978 (Inhibitor 3 of SARS-CoV-2 Mpro | US20240092759, Co...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair