Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lys-gingipain W83' and Ligand = 'BDBM453305'   

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
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453305 (US10730826, Compound 5a | US11325884, Compound 5a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1F Show InChI InChI=1S/C19H26F2N2O3/c20-14-8-5-10-17(18(14)21)26-12-16(24)15(9-3-4-11-22)23-19(25)13-6-1-2-7-13/h5,8,10,13,15H,1-4,6-7,9,11-12,22H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
CORTEXYME, INC. US Patent					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain were measured in a fluorogenic assay similar to thos...				US Patent US10730826 (2020) BindingDB Entry DOI: 10.7270/Q2QR5158
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