BDBM448269 MI-07

SMILES: CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=DYCMIBQYGBOZHW-HRSMJWBKSA-N

Data: 1 IC50

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 1 hit for monomerid = 448269   

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)	BDBM448269 (MI-07) Show SMILES CC1(C)[C@H]2CN([C@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H28F3N3O5/c1-23(2)17-10-30(18(32)12-35-16-5-3-14(4-6-16)24(25,26)27)20(19(17)23)22(34)29-15(11-31)9-13-7-8-28-21(13)33/h3-6,11,13,15,17,19-20H,7-10,12H2,1-2H3,(H,28,33)(H,29,34)/t13-,15-,17-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University					Assay Description The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 μM FRET substrate. For th...				Science (2021) Article DOI: 10.1126/science.abf1611
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