BDBM476963 SARS-CoV-2 3CLP and CoV inhibitor 15c

SMILES: COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)C(C)(C)C(F)(F)F

InChI Key: InChIKey=DNUOOXQKGWPVRL-YYWHXJBOSA-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 = 476963   

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)	BDBM476963 (SARS-CoV-2 3CLP and CoV inhibitor 15c) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)C(C)(C)C(F)(F)F Show InChI InChI=1S/C30H39F3N4O7/c1-16(2)12-21(37-27(41)22-14-18-19(35-22)9-6-10-24(18)43-5)26(40)36-20(13-17-8-7-11-34-25(17)39)23(38)15-44-28(42)29(3,4)30(31,32)33/h6,9-10,14,16-17,20-21,35H,7-8,11-13,15H2,1-5H3,(H,34,39)(H,36,40)(H,37,41)/t17-,20-,21-/m0/s1	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	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021)
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