Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM50405466'   

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)	BDBM50405466 (CHEMBL5281998) Show SMILES OC(=O)CCC\C=C/C[C@@H]1COCO[C@@H]1c1ccccc1 Show InChI InChI=1S/C17H22O4/c18-16(19)11-7-2-1-4-10-15-12-20-13-21-17(15)14-8-5-3-6-9-14/h1,3-6,8-9,15,17H,2,7,10-13H2,(H,18,19)/b4-1-/t15-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	80	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
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