BDBM476984 Inhibitor 16 of SARS-CoV-2 Mpro::Inhibitor 6 of SARS-CoV-2 Mpro

SMILES: Clc1cc(OCC2CC2)cc(c1)-c1cc(cn(-c2cccnc2)c1=O)-c1c[nH]c(=O)[nH]c1=O

InChI Key: InChIKey=MAQWOCWKZDBXGP-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 476984   

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)	BDBM476984 (Inhibitor 16 of SARS-CoV-2 Mpro | Inhibitor 6 of S...) Show SMILES Clc1cc(OCC2CC2)cc(c1)-c1cc(cn(-c2cccnc2)c1=O)-c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C24H19ClN4O4/c25-17-6-15(7-19(9-17)33-13-14-3-4-14)20-8-16(21-11-27-24(32)28-22(21)30)12-29(23(20)31)18-2-1-5-26-10-18/h1-2,5-12,14H,3-4,13H2,(H2,27,28,30,32)	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	37	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
Replicase polyprotein 1ab (2019-nCoV)	BDBM476984 (Inhibitor 16 of SARS-CoV-2 Mpro | Inhibitor 6 of S...) Show SMILES Clc1cc(OCC2CC2)cc(c1)-c1cc(cn(-c2cccnc2)c1=O)-c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C24H19ClN4O4/c25-17-6-15(7-19(9-17)33-13-14-3-4-14)20-8-16(21-11-27-24(32)28-22(21)30)12-29(23(20)31)18-2-1-5-26-10-18/h1-2,5-12,14H,3-4,13H2,(H2,27,28,30,32)	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	37	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
Replicase polyprotein 1ab (2019-nCoV)	BDBM476984 (Inhibitor 16 of SARS-CoV-2 Mpro | Inhibitor 6 of S...) Show SMILES Clc1cc(OCC2CC2)cc(c1)-c1cc(cn(-c2cccnc2)c1=O)-c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C24H19ClN4O4/c25-17-6-15(7-19(9-17)33-13-14-3-4-14)20-8-16(21-11-27-24(32)28-22(21)30)12-29(23(20)31)18-2-1-5-26-10-18/h1-2,5-12,14H,3-4,13H2,(H2,27,28,30,32)	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	530	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)	BDBM476984 (Inhibitor 16 of SARS-CoV-2 Mpro | Inhibitor 6 of S...) Show SMILES Clc1cc(OCC2CC2)cc(c1)-c1cc(cn(-c2cccnc2)c1=O)-c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C24H19ClN4O4/c25-17-6-15(7-19(9-17)33-13-14-3-4-14)20-8-16(21-11-27-24(32)28-22(21)30)12-29(23(20)31)18-2-1-5-26-10-18/h1-2,5-12,14H,3-4,13H2,(H2,27,28,30,32)	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	61	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