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SMILES: CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@@H](NS(=O)(=O)C(F)(F)F)C1CCCCC1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 510135   

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 1a (2019-nCoV)	BDBM510135 (US11351149, Example 87 | WO2021250648, Example 87) Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@@H](NS(=O)(=O)C(F)(F)F)C1CCCCC1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2222Z08
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM510135 (US11351149, Example 87 | WO2021250648, Example 87) Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@@H](NS(=O)(=O)C(F)(F)F)C1CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2021250648	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89GKW
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM510135 (US11351149, Example 87 | WO2021250648, Example 87) Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@@H](NS(=O)(=O)C(F)(F)F)C1CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2021250648	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89GKW
					More data for this Ligand-Target Pair