Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM50405499'   

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)	BDBM50405499 (CHEMBL5280925) Show SMILES CC(C)(C)c1ccc(Cc2cnc(N)nc2N)cc1 Show InChI InChI=1S/C15H20N4/c1-15(2,3)12-6-4-10(5-7-12)8-11-9-18-14(17)19-13(11)16/h4-7,9H,8H2,1-3H3,(H4,16,17,18,19)	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	363	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against beta-2 adrenergic receptor on isolated guinea pig tracheal strips				Citation and Details
					More data for this Ligand-Target Pair