Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM11309'   

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 (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11309 (1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-3-(methyl...) Show SMILES CSc1nn(c(-c2cccs2)c1C#N)-c1c(c(C)nn1C)[N+]([O-])=O |(4.14,6.57,;2.6,6.57,;1.69,5.32,;2.17,3.86,;.92,2.95,;-.32,3.86,;-1.86,3.86,;-2.95,2.76,;-4.32,3.46,;-4.09,4.98,;-2.57,5.23,;.15,5.32,;-.75,6.57,;-1.52,7.9,;.92,1.41,;-.11,.27,;.65,-1.07,;.02,-2.47,;2.16,-.75,;2.33,.78,;3.66,1.54,;-1.64,.44,;-2.56,-.8,;-2.26,1.92,)| Show InChI InChI=1S/C14H12N6O2S2/c1-8-11(20(21)22)14(18(2)16-8)19-12(10-5-4-6-24-10)9(7-15)13(17-19)23-3/h4-6H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This is a review article. Please point to the original journal.				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00409 BindingDB Entry DOI: 10.7270/Q2J1069F
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11309 (1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-3-(methyl...) Show SMILES CSc1nn(c(-c2cccs2)c1C#N)-c1c(c(C)nn1C)[N+]([O-])=O |(4.14,6.57,;2.6,6.57,;1.69,5.32,;2.17,3.86,;.92,2.95,;-.32,3.86,;-1.86,3.86,;-2.95,2.76,;-4.32,3.46,;-4.09,4.98,;-2.57,5.23,;.15,5.32,;-.75,6.57,;-1.52,7.9,;.92,1.41,;-.11,.27,;.65,-1.07,;.02,-2.47,;2.16,-.75,;2.33,.78,;3.66,1.54,;-1.64,.44,;-2.56,-.8,;-2.26,1.92,)| Show InChI InChI=1S/C14H12N6O2S2/c1-8-11(20(21)22)14(18(2)16-8)19-12(10-5-4-6-24-10)9(7-15)13(17-19)23-3/h4-6H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center					Assay Description The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...				J Med Chem 49: 5154-61 (2006) Article DOI: 10.1021/jm060207o BindingDB Entry DOI: 10.7270/Q2M906V0
					More data for this Ligand-Target Pair