Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM525189'   

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 1ab (2019-nCoV)	BDBM525189 (N-[(1S)-2-[2-(3-Amino-3-oxo-propyl)-2-(2-chloroace...) Show SMILES CN([C@@H](CC1CCCCC1)C(=O)NN(CCC(N)=O)C(=O)CCl)C(=O)c1cc2ccccc2[nH]1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022043374	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the SARS-CoV-2 3CLpro assay, 2 μL of 0.02 μM recombinant SARS-CoV-2 3CL protease were mixed with serial dilutions of each c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SF30BV
					More data for this Ligand-Target Pair