Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM50405456'   

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)	BDBM50405456 (CHEMBL5287345) Show SMILES CC(C)Cn1c2ccc3n(Cc4ccccc4)cnc3c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H22N4O2/c1-14(2)11-25-16-9-10-17-19(18(16)20(26)23(3)21(25)27)22-13-24(17)12-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against sheep seminal vesicle prostaglandin synthetase				Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50405456 (CHEMBL5287345) Show SMILES CC(C)Cn1c2ccc3n(Cc4ccccc4)cnc3c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H22N4O2/c1-14(2)11-25-16-9-10-17-19(18(16)20(26)23(3)21(25)27)22-13-24(17)12-15-7-5-4-6-8-15/h4-10,13-14H,11-12H2,1-3H3	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	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human platelet Thromboxane synthetase				Citation and Details
					More data for this Ligand-Target Pair