Compile Data Set for Download or QSAR

Found 1039 hits with Last Name = 'lynch' and Initial = 'c'   

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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM81731 (HSP90 Inhibitor, 5) Show SMILES Nc1nc(Cl)cc(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C10H6Cl3N3/c11-5-1-2-6(7(12)3-5)8-4-9(13)16-10(14)15-8/h1-4H,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	60	-41.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM81730 (HSP90 Inhibitor, 4) Show SMILES Cc1cc(nc(N)n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C11H9Cl2N3/c1-6-4-10(16-11(14)15-6)8-3-2-7(12)5-9(8)13/h2-5H,1H3,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	170	-38.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM81729 (HSP90 Inhibitor, 1 | hsp90_125) Show SMILES Nc1nc(N)nc(n1)-c1cc2ccccc2cc1Br Show InChI InChI=1S/C13H10BrN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	320	-37.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM81732 (HSP90 Inhibitor, 6) Show SMILES Cc1cc(CNS(=O)(=O)c2ccc(NC=C3CCOC3=O)cc2)nc(N)n1 |w:14.13| Show InChI InChI=1S/C17H19N5O4S/c1-11-8-14(22-17(18)21-11)10-20-27(24,25)15-4-2-13(3-5-15)19-9-12-6-7-26-16(12)23/h2-5,8-9,19-20H,6-7,10H2,1H3,(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+3	-32.7	n/a	n/a	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM81733 (HSP90 Inhibitor, 7) Show SMILES Cc1cc(C=Cc2ccccc2\C=N\N2CCOC2=O)nc(N)n1 Show InChI InChI=1S/C17H17N5O2/c1-12-10-15(21-16(18)20-12)7-6-13-4-2-3-5-14(13)11-19-22-8-9-24-17(22)23/h2-7,10-11H,8-9H2,1H3,(H2,18,20,21)/b7-6?,19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.00E+3	-30.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50270588 (4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE | CH...) Show SMILES Cc1cc(nc(N)n1)C(F)(F)F Show InChI InChI=1S/C6H6F3N3/c1-3-2-4(6(7,8)9)12-5(10)11-3/h2H,1H3,(H2,10,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	1.80E+4	-27.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Abbott Laboratories					Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.				Chem Biol Drug Des 70: 1-12 (2007) Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)	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)	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 (Porphyromonas gingivalis)	BDBM553804 (US11325884, Compound 1a-non-racemic | US11325884, ...) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1c(F)ccc(F)c1F Show InChI	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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair
Lys-gingipain (Porphyromonas gingivalis)	BDBM553804 (US11325884, Compound 1a-non-racemic | US11325884, ...) Show SMILES NCCCCC(NC(=O)C1CCCC1)C(=O)COc1c(F)ccc(F)c1F Show InChI	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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair
Lys-gingipain (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair
Lys-gingipain (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair
Lys-gingipain (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair
Lys-gingipain (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair
Lys-gingipain (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair
Lys-gingipain (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair
Lys-gingipain (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair
Lys-gingipain (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					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)	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)	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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50121838 ((R)-3-cyclopropyl-2-((3S,4S)-3-((4-(3,3-difluoro-3...) Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1 |r| Show InChI InChI=1S/C31H38F4N2O2/c32-26-8-6-25(7-9-26)31(34,35)13-10-21-11-14-36(15-12-21)18-24-19-37(29(30(38)39)16-22-4-5-22)20-28(24)23-2-1-3-27(33)17-23/h1-3,6-9,17,21-22,24,28-29H,4-5,10-16,18-20H2,(H,38,39)/t24-,28+,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 13: 119-23 (2002) BindingDB Entry DOI: 10.7270/Q2CN7382
					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)	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)	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 (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair
Lys-gingipain (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair
Lys-gingipain (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair
Lys-gingipain (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					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 (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					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)	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 (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					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 (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair
Lys-gingipain (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					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 (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					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)	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 (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair
Lys-gingipain (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair
Lys-gingipain (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
TBA					Assay Description The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0XQ1
					More data for this Ligand-Target Pair

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