Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1a' and Ligand = 'BDBM645364'   

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 1a (2019-nCoV)	BDBM645364 (US20240016777, Table3.6 | pinocembrin 7-O-(3$#8243...) Show SMILES C[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)cc2C(O)=O)O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccccc2)[C@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r,wU:29.31,51.57,2.2,wD:39.46,49.54,1.0,(-4,1.15,;-2.67,1.93,;-2.67,3.47,;-4,4.23,;-5.33,3.47,;-6.67,2.69,;-6.67,4.23,;-8,3.47,;-8,5,;-9.34,5.78,;-9.34,7.31,;-10.67,5,;-12,5.78,;-10.67,3.47,;-12,2.69,;-9.34,2.69,;-9.34,1.15,;-10.67,.38,;-12,1.15,;-10.67,-1.15,;-12,-1.93,;-9.34,-1.93,;-9.34,-3.47,;-8,-1.15,;-8,.38,;-6.67,1.15,;-4.34,1.15,;-6.67,-.38,;-1.33,4.23,;,3.47,;1.33,4.23,;2.67,3.47,;2.67,1.93,;4,1.15,;4,-.38,;5.33,1.93,;6.67,1.15,;6.67,-.38,;8,1.93,;8,3.47,;6.67,4.23,;5.33,3.47,;4,4.23,;9.34,4.23,;10.67,3.47,;12,4.23,;12,5.78,;10.67,6.54,;9.34,5.78,;,1.93,;1.33,1.15,;-1.33,1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;,-2.69,;-1.33,-3.47,;-1.33,-5,;-2.67,-5.78,;,-5.78,;,-7.31,;1.33,-5,;2.67,-5.78,;1.33,-3.47,)| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair