Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1a' and Ligand = 'BDBM510132'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Replicase polyprotein 1a (2019-nCoV)	BDBM510132 ((1R,2S,5S)-N-{(1 S)-1-Cyano-2-[(3S)-2- oxopyrrolid...) Show SMILES CC(C)(CO)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	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