Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM50405469'   

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)	BDBM50405469 (CHEMBL5267414) Show SMILES CCCCC(O)c1cccc(OCc2ccccc2CO)c1 Show InChI InChI=1S/C19H24O3/c1-2-3-11-19(21)15-9-6-10-18(12-15)22-14-17-8-5-4-7-16(17)13-20/h4-10,12,19-21H,2-3,11,13-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of dihydropteroate synthase from Escherichia coli.				Citation and Details
					More data for this Ligand-Target Pair