BDBM484209 Inhibitor 17 of SARS-CoV-2 Mpro

SMILES: Cn1cc(-c2cc(-c3cc(Cl)cc(OCCC(F)(F)F)c3)c(=O)n(c2)-c2cccnc2)c(=O)[nH]c1=O

InChI Key: InChIKey=UJBVSKKPZZUOLN-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 484209   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Replicase polyprotein 1ab (2019-nCoV)	BDBM484209 (Inhibitor 17 of SARS-CoV-2 Mpro) Show SMILES Cn1cc(-c2cc(-c3cc(Cl)cc(OCCC(F)(F)F)c3)c(=O)n(c2)-c2cccnc2)c(=O)[nH]c1=O Show InChI InChI=1S/C24H18ClF3N4O4/c1-31-13-20(21(33)30-23(31)35)15-9-19(22(34)32(12-15)17-3-2-5-29-11-17)14-7-16(25)10-18(8-14)36-6-4-24(26,27)28/h2-3,5,7-13H,4,6H2,1H3,(H,30,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	820	n/a	n/a	n/a	n/a
Yale University					Assay Description These include a rapid screening replicon assay using baby hamster kidney (BHK) cells with noninfectious SARS-CoV-2, in which the spike protein in the...				ACS Med Chem Lett 12: 1325-1332 (2021)
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM484209 (Inhibitor 17 of SARS-CoV-2 Mpro) Show SMILES Cn1cc(-c2cc(-c3cc(Cl)cc(OCCC(F)(F)F)c3)c(=O)n(c2)-c2cccnc2)c(=O)[nH]c1=O Show InChI InChI=1S/C24H18ClF3N4O4/c1-31-13-20(21(33)30-23(31)35)15-9-19(22(34)32(12-15)17-3-2-5-29-11-17)14-7-16(25)10-18(8-14)36-6-4-24(26,27)28/h2-3,5,7-13H,4,6H2,1H3,(H,30,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/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)
					More data for this Ligand-Target Pair