Compile Data Set for Download or QSAR

Found 154 hits Enz. Inhib. hit(s) with Target = 'Lys-gingipain W83'   

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)	BDBM397464 (US10676470, Compound 43 | US10730826, Compound 73 ...) Show SMILES NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C19H24F4N2O3/c20-12-9-13(21)17(23)18(16(12)22)28-10-15(26)14(7-3-4-8-24)25-19(27)11-5-1-2-6-11/h9,11,14H,1-8,10,24H2,(H,25,27)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.0500	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453275 (BDBM453327 | US10730826, Compound 1a-non-racemic |...) Show SMILES NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)ccc(F)c1F |r| Show InChI InChI=1S/C19H25F3N2O3/c20-13-8-9-14(21)18(17(13)22)27-11-16(25)15(7-3-4-10-23)24-19(26)12-5-1-2-6-12/h8-9,12,15H,1-7,10-11,23H2,(H,24,26)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.0500	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453289 (US10730826, Compound 2a | US11325884, Compound 2a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1c(F)cccc1F Show InChI InChI=1S/C19H26F2N2O3/c20-14-8-5-9-15(21)18(14)26-12-17(24)16(10-3-4-11-22)23-19(25)13-6-1-2-7-13/h5,8-9,13,16H,1-4,6-7,10-12,22H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.0500	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453289 (US10730826, Compound 2a | US11325884, Compound 2a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1c(F)cccc1F Show InChI InChI=1S/C19H26F2N2O3/c20-14-8-5-9-15(21)18(14)26-12-17(24)16(10-3-4-11-22)23-19(25)13-6-1-2-7-13/h5,8-9,13,16H,1-4,6-7,10-12,22H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.0500	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453289 (US10730826, Compound 2a | US11325884, Compound 2a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1c(F)cccc1F Show InChI InChI=1S/C19H26F2N2O3/c20-14-8-5-9-15(21)18(14)26-12-17(24)16(10-3-4-11-22)23-19(25)13-6-1-2-7-13/h5,8-9,13,16H,1-4,6-7,10-12,22H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.0500	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453323 (BDBM553828 | US10730826, Compound 74) Show SMILES NCCCC[C@@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	<0.0500	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM397464 (US10676470, Compound 43 | US10730826, Compound 73 ...) Show SMILES NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C19H24F4N2O3/c20-12-9-13(21)17(23)18(16(12)22)28-10-15(26)14(7-3-4-8-24)25-19(27)11-5-1-2-6-11/h9,11,14H,1-8,10,24H2,(H,25,27)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.0500	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM397464 (US10676470, Compound 43 | US10730826, Compound 73 ...) Show SMILES NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C19H24F4N2O3/c20-12-9-13(21)17(23)18(16(12)22)28-10-15(26)14(7-3-4-8-24)25-19(27)11-5-1-2-6-11/h9,11,14H,1-8,10,24H2,(H,25,27)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.0500	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453275 (BDBM453327 | US10730826, Compound 1a-non-racemic |...) Show SMILES NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)ccc(F)c1F |r| Show InChI InChI=1S/C19H25F3N2O3/c20-13-8-9-14(21)18(17(13)22)27-11-16(25)15(7-3-4-10-23)24-19(26)12-5-1-2-6-12/h8-9,12,15H,1-7,10-11,23H2,(H,24,26)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.0500	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453275 (BDBM453327 | US10730826, Compound 1a-non-racemic |...) Show SMILES NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)ccc(F)c1F |r| Show InChI InChI=1S/C19H25F3N2O3/c20-13-8-9-14(21)18(17(13)22)27-11-16(25)15(7-3-4-10-23)24-19(26)12-5-1-2-6-12/h8-9,12,15H,1-7,10-11,23H2,(H,24,26)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.0500	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453329 (BDBM553832 | US10730826, Compound 47a) Show SMILES COC(C)(C)C(=O)NC(CCCCN)C(=O)COc1c(F)ccc(F)c1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.0600	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453359 (BDBM553862 | US10730826, Compound 52a) Show SMILES NCCCCC(NC(=O)c1ccncc1)C(=O)COc1c(F)ccc(F)c1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.0600	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453352 (BDBM553856 | US10730826, Compound 42a) Show SMILES NCCCCC(NC(=O)c1cccnc1)C(=O)COc1c(F)ccc(F)c1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.0600	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453293 (US10730826, Compound 4a | US11325884, Compound 4a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1F Show InChI InChI=1S/C19H25F3N2O3/c20-13-9-14(21)18(22)17(10-13)27-11-16(25)15(7-3-4-8-23)24-19(26)12-5-1-2-6-12/h9-10,12,15H,1-8,11,23H2,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453333 (BDBM553836 | US10730826, Compound 48a) Show SMILES COC(C)(C)C(=O)NC(CCCCN)C(=O)COc1c(F)cccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.0700	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453342 (BDBM553845 | US10730826, Compound 32a) Show SMILES NCCCCC(NC(=O)c1cccnc1F)C(=O)COc1c(F)cccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.0800	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453309 (US10730826, Compound 10a | US10730826, Compound 9a...) Show SMILES CC(=O)Nc1cccc(c1)C(=O)NC(CCCCN)C(=O)COc1c(F)cccc1F Show InChI InChI=1S/C22H25F2N3O4/c1-14(28)26-16-7-4-6-15(12-16)22(30)27-19(10-2-3-11-25)20(29)13-31-21-17(23)8-5-9-18(21)24/h4-9,12,19H,2-3,10-11,13,25H2,1H3,(H,26,28)(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0800	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453312 (BDBM453343 | BDBM553818 | US10730826, Compound 12a) Show SMILES NCCCCC(NC(=O)c1cccc(c1)N=[N+]=[N-])C(=O)COc1c(F)cccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.0800	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453312 (BDBM453343 | BDBM553818 | US10730826, Compound 12a) Show SMILES NCCCCC(NC(=O)c1cccc(c1)N=[N+]=[N-])C(=O)COc1c(F)cccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.0800	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453330 (BDBM553833 | US10730826, Compound 50a) Show SMILES NCCCCC(NC(=O)c1ccccn1)C(=O)COc1c(F)ccc(F)c1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.0900	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453369 (BDBM553871 | US10730826, Compound 63a) Show SMILES COC(C)(C)C(=O)NC(CCCCN)C(=O)COc1cc(C)nc(C)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.0900	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453328 (BDBM553831 | US10730826, Compound 21) Show SMILES NCCCC[C@@H](NC(=O)C1CCCC1)C(=O)COc1c(F)ccc(F)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.0900	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453336 (BDBM553839 | US10730826, Compound 26a) Show SMILES NCCCCC(NC(=O)c1cccc(F)c1)C(=O)COc1c(F)cccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.0900	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453335 (BDBM553838 | US10730826, Compound 57a) Show SMILES COC(C)(C)C(=O)NC(CCCCN)C(=O)COc1ccon1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.0900	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453353 (BDBM553857 | US10730826, Compound 43a) Show SMILES NCCCCC(NC(=O)c1cccnc1)C(=O)COc1c(F)cccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.0900	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453345 (BDBM553848 | US10730826, Compound 35a) Show SMILES NCCCCC(NC(=O)c1ccc(F)cc1)C(=O)COc1c(F)cccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.100	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453362 (BDBM553865 | US10730826, Compound 56a) Show SMILES NCCCCC(NC(=O)c1cccnc1F)C(=O)COc1ccon1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.100	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453309 (US10730826, Compound 10a | US10730826, Compound 9a...) Show SMILES CC(=O)Nc1cccc(c1)C(=O)NC(CCCCN)C(=O)COc1c(F)cccc1F Show InChI InChI=1S/C22H25F2N3O4/c1-14(28)26-16-7-4-6-15(12-16)22(30)27-19(10-2-3-11-25)20(29)13-31-21-17(23)8-5-9-18(21)24/h4-9,12,19H,2-3,10-11,13,25H2,1H3,(H,26,28)(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453331 (BDBM553834 | US10730826, Compound 55a) Show SMILES NCCCCC(NC(=O)c1ccc(F)nc1)C(=O)COc1ccon1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.120	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453344 (BDBM553847 | US10730826, Compound 34a) Show SMILES NCCCCC(NC(=O)c1cccnc1Br)C(=O)COc1c(F)cccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.130	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453368 (BDBM553870 | US10730826, Compound 62a) Show SMILES CN(C)c1ccc(cn1)C(=O)NC(CCCCN)C(=O)COc1ccon1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.140	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453341 (BDBM553844 | US10730826, Compound 31a) Show SMILES NCCCCC(NC(=O)c1ccnc(F)c1)C(=O)COc1c(F)cccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
					More data for this Ligand-Target Pair
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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453371 (BDBM553873 | US10730826, Compound 65a) Show SMILES COC(C)(C)C(=O)NC(CCCCN)C(=O)COc1cnc(C)nc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.160	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453306 (US10730826, Compound 6a | US11325884, Compound 6a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)ccc1F Show InChI InChI=1S/C19H26F2N2O3/c20-14-8-9-15(21)18(11-14)26-12-17(24)16(7-3-4-10-22)23-19(25)13-5-1-2-6-13/h8-9,11,13,16H,1-7,10,12,22H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453340 (BDBM553843 | US10730826, Compound 30a) Show SMILES NCCCCC(NC(=O)c1cccc(OCCCF)c1)C(=O)COc1c(F)cccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.210	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453332 (BDBM553835 | US10730826, Compound 69a) Show SMILES COC(C)(C)C(=O)NC(CCCCN)C(=O)COC(C(F)(F)F)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.210	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453334 (BDBM553837 | US10730826, Compound 49a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1ccon1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.230	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453337 (BDBM553840 | US10730826, Compound 27a) Show SMILES NCCCCC(NC(=O)c1cccc(OCCF)c1)C(=O)COc1c(F)cccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.270	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453339 (BDBM553842 | US10730826, Compound 29a) Show SMILES NCCCCC(NC(=O)c1ccc(F)nc1)C(=O)COc1c(F)cccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.310	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453308 (US10730826, Compound 8a | US11325884, Compound 8a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1cc(F)cc(F)c1 Show InChI InChI=1S/C19H26F2N2O3/c20-14-9-15(21)11-16(10-14)26-12-18(24)17(7-3-4-8-22)23-19(25)13-5-1-2-6-13/h9-11,13,17H,1-8,12,22H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453338 (BDBM553841 | US10730826, Compound 28a) Show SMILES NCCCCC(NC(=O)c1cccc(F)n1)C(=O)COc1c(F)cccc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.340	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453357 (BDBM553861 | US10730826, Compound 51a) Show SMILES NCCCCC(NC(=O)c1cccc(c1)-n1cc(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)nn1)C(=O)COc1c(F)cccc1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.400	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453370 (BDBM553872 | US10730826, Compound 64a) Show SMILES COC(C)(C)C(=O)NC(CCCCN)C(=O)COc1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.400	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453367 (BDBM553869 | US10730826, Compound 61a) Show SMILES C[N+](C)(C)c1ccc(cn1)C(=O)NC(CCCCN)C(=O)COc1ccon1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.430	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453357 (BDBM553861 | US10730826, Compound 51a) Show SMILES NCCCCC(NC(=O)c1cccc(c1)-n1cc(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)nn1)C(=O)COc1c(F)cccc1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.440	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453318 (BDBM553824 | US10730826, Compound 18a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COC(C(F)(F)F)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.5	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453318 (BDBM553824 | US10730826, Compound 18a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COC(C(F)(F)F)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.5	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM453290 (US10730826, Compound 3a | US11325884, Compound 3a) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1ccccc1F Show InChI InChI=1S/C19H27FN2O3/c20-15-9-3-4-11-18(15)25-13-17(23)16(10-5-6-12-21)22-19(24)14-7-1-2-8-14/h3-4,9,11,14,16H,1-2,5-8,10,12-13,21H2,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.640	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
					More data for this Ligand-Target Pair
Lys-gingipain W83 (Porphyromonas gingivalis)	BDBM397464 (US10676470, Compound 43 | US10730826, Compound 73 ...) Show SMILES NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F |r| Show InChI InChI=1S/C19H24F4N2O3/c20-12-9-13(21)17(23)18(16(12)22)28-10-15(26)14(7-3-4-8-24)25-19(27)11-5-1-2-6-11/h9,11,14H,1-8,10,24H2,(H,25,27)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	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 US10676470 (2020) BindingDB Entry DOI: 10.7270/Q2377CR1
					More data for this Ligand-Target Pair

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