Compile Data Set for Download or QSAR

Found 311 hits with Last Name = 'mcphail' and Initial = 'sj'   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM50074918 (((R)-2,2-Dimethyl-1-{(S)-2-phenyl-1-[3,3,3-trifluo...) Show SMILES CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F |TLB:12:13:17:11.10.16,THB:14:15:10:13.18.12,14:13:10:15.17.16,12:11:17:13.18.14| Show InChI InChI=1S/C37H47F3N6O5/c1-35(2,3)29(46-34(50)51-36-18-23-13-24(19-36)15-25(14-23)20-36)32(49)45-28(17-21-7-5-4-6-8-21)31(48)44-27(30(47)37(38,39)40)16-22-9-11-26(12-10-22)43-33(41)42/h4-12,23-25,27-29H,13-20H2,1-3H3,(H,44,48)(H,45,49)(H,46,50)(H4,41,42,43)/p+1/t23?,24?,25?,27?,28-,29-,36?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against human plasma Kallikrein (PK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50074920 (((R)-3-Phenyl-1-{(S)-2-phenyl-1-[3,3,3-trifluoro-1...) Show SMILES NC(=[NH2+])Nc1ccc(CC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCc2ccccc2)NC(=O)OC23CC4CC(CC(C4)C2)C3)C(=O)C(F)(F)F)cc1 |TLB:44:43:46:39.38.40,44:39:46:43.45.42,40:41:45:39.38.44,THB:40:39:45:41.46.42| Show InChI InChI=1S/C41H47F3N6O5/c42-41(43,44)35(51)33(20-27-11-14-31(15-12-27)47-38(45)46)48-37(53)34(21-26-9-5-2-6-10-26)49-36(52)32(16-13-25-7-3-1-4-8-25)50-39(54)55-40-22-28-17-29(23-40)19-30(18-28)24-40/h1-12,14-15,28-30,32-34H,13,16-24H2,(H,48,53)(H,49,52)(H,50,54)(H4,45,46,47)/p+1/t28?,29?,30?,32-,33?,34+,40?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against human plasma Kallikrein (PK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50074915 (((R)-2-Methyl-1-{(S)-2-phenyl-1-[3,3,3-trifluoro-1...) Show SMILES CC(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F |TLB:15:14:17:10.9.11,15:10:17:14.16.13,11:12:16:10.9.15,THB:11:10:16:12.17.13| Show InChI InChI=1S/C36H45F3N6O5/c1-20(2)29(45-34(49)50-35-17-23-12-24(18-35)14-25(13-23)19-35)32(48)44-28(16-21-6-4-3-5-7-21)31(47)43-27(30(46)36(37,38)39)15-22-8-10-26(11-9-22)42-33(40)41/h3-11,20,23-25,27-29H,12-19H2,1-2H3,(H,43,47)(H,44,48)(H,45,49)(H4,40,41,42)/p+1/t23?,24?,25?,27?,28-,29+,35?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against human plasma Kallikrein (PK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of truncated gelatinase B (Matrix metalloprotease-9)				J Med Chem 41: 3568-71 (1998) Article DOI: 10.1021/jm980253r BindingDB Entry DOI: 10.7270/Q22F7P4F
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human matrix metalloprotease 9				J Med Chem 42: 87-94 (1999) Article DOI: 10.1021/jm980142s BindingDB Entry DOI: 10.7270/Q2FF3T1N
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human matrix metalloprotease 2				J Med Chem 42: 87-94 (1999) Article DOI: 10.1021/jm980142s BindingDB Entry DOI: 10.7270/Q2FF3T1N
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50074917 (Morpholine-4-carboxylic acid ((R)-2,2-dimethyl-1-{...) Show SMILES CC(C)(C)[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F Show InChI InChI=1S/C31H40F3N7O5/c1-30(2,3)24(40-29(45)41-13-15-46-16-14-41)27(44)39-23(18-19-7-5-4-6-8-19)26(43)38-22(25(42)31(32,33)34)17-20-9-11-21(12-10-20)37-28(35)36/h4-12,22-24H,13-18H2,1-3H3,(H,38,43)(H,39,44)(H,40,45)(H4,35,36,37)/p+1/t22?,23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against human plasma Kallikrein (PK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of truncated collagenase-1 (Matrix metalloprotease-1)				J Med Chem 41: 3568-71 (1998) Article DOI: 10.1021/jm980253r BindingDB Entry DOI: 10.7270/Q22F7P4F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interstitial collagenase (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human matrix metalloprotease 1				J Med Chem 42: 87-94 (1999) Article DOI: 10.1021/jm980142s BindingDB Entry DOI: 10.7270/Q2FF3T1N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasminogen (Rattus norvegicus)	BDBM50074920 (((R)-3-Phenyl-1-{(S)-2-phenyl-1-[3,3,3-trifluoro-1...) Show SMILES NC(=[NH2+])Nc1ccc(CC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCc2ccccc2)NC(=O)OC23CC4CC(CC(C4)C2)C3)C(=O)C(F)(F)F)cc1 |TLB:44:43:46:39.38.40,44:39:46:43.45.42,40:41:45:39.38.44,THB:40:39:45:41.46.42| Show InChI InChI=1S/C41H47F3N6O5/c42-41(43,44)35(51)33(20-27-11-14-31(15-12-27)47-38(45)46)48-37(53)34(21-26-9-5-2-6-10-26)49-36(52)32(16-13-25-7-3-1-4-8-25)50-39(54)55-40-22-28-17-29(23-40)19-30(18-28)24-40/h1-12,14-15,28-30,32-34H,13,16-24H2,(H,48,53)(H,49,52)(H,50,54)(H4,45,46,47)/p+1/t28?,29?,30?,32-,33?,34+,40?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Plasmin (HP)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of truncated stromelysin (Matrix metalloprotease-3)				J Med Chem 41: 3568-71 (1998) Article DOI: 10.1021/jm980253r BindingDB Entry DOI: 10.7270/Q22F7P4F
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human matrix metalloprotease-3				J Med Chem 42: 87-94 (1999) Article DOI: 10.1021/jm980142s BindingDB Entry DOI: 10.7270/Q2FF3T1N
					More data for this Ligand-Target Pair
Plasminogen (Rattus norvegicus)	BDBM50074921 ([(R)-1-({(S)-Naphthalen-2-yl-[3,3,3-trifluoro-1-(4...) Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 Show InChI InChI=1S/C37H39F3N6O5/c1-36(2,3)51-35(50)45-29(20-22-9-5-4-6-10-22)32(48)46-30(26-16-15-24-11-7-8-12-25(24)21-26)33(49)44-28(31(47)37(38,39)40)19-23-13-17-27(18-14-23)43-34(41)42/h4-18,21,28-30H,19-20H2,1-3H3,(H,44,49)(H,45,50)(H,46,48)(H4,41,42,43)/p+1/t28?,29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Plasmin (HP)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Plasminogen (Rattus norvegicus)	BDBM50074915 (((R)-2-Methyl-1-{(S)-2-phenyl-1-[3,3,3-trifluoro-1...) Show SMILES CC(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F |TLB:15:14:17:10.9.11,15:10:17:14.16.13,11:12:16:10.9.15,THB:11:10:16:12.17.13| Show InChI InChI=1S/C36H45F3N6O5/c1-20(2)29(45-34(49)50-35-17-23-12-24(18-35)14-25(13-23)19-35)32(48)44-28(16-21-6-4-3-5-7-21)31(47)43-27(30(46)36(37,38)39)15-22-8-10-26(11-9-22)42-33(40)41/h3-11,20,23-25,27-29H,12-19H2,1-2H3,(H,43,47)(H,44,48)(H,45,49)(H4,40,41,42)/p+1/t23?,24?,25?,27?,28-,29+,35?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Plasmin (HP)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50074921 ([(R)-1-({(S)-Naphthalen-2-yl-[3,3,3-trifluoro-1-(4...) Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 Show InChI InChI=1S/C37H39F3N6O5/c1-36(2,3)51-35(50)45-29(20-22-9-5-4-6-10-22)32(48)46-30(26-16-15-24-11-7-8-12-25(24)21-26)33(49)44-28(31(47)37(38,39)40)19-23-13-17-27(18-14-23)43-34(41)42/h4-18,21,28-30H,19-20H2,1-3H3,(H,44,49)(H,45,50)(H,46,48)(H4,41,42,43)/p+1/t28?,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against human plasma Kallikrein (PK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Plasminogen (Rattus norvegicus)	BDBM50074918 (((R)-2,2-Dimethyl-1-{(S)-2-phenyl-1-[3,3,3-trifluo...) Show SMILES CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F |TLB:12:13:17:11.10.16,THB:14:15:10:13.18.12,14:13:10:15.17.16,12:11:17:13.18.14| Show InChI InChI=1S/C37H47F3N6O5/c1-35(2,3)29(46-34(50)51-36-18-23-13-24(19-36)15-25(14-23)20-36)32(49)45-28(17-21-7-5-4-6-8-21)31(48)44-27(30(47)37(38,39)40)16-22-9-11-26(12-10-22)43-33(41)42/h4-12,23-25,27-29H,13-20H2,1-3H3,(H,44,48)(H,45,49)(H,46,50)(H4,41,42,43)/p+1/t23?,24?,25?,27?,28-,29-,36?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Plasmin (HP)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Plasminogen (Rattus norvegicus)	BDBM50074916 ([(R)-2,2-Dimethyl-1-({(S)-naphthalen-2-yl-[3,3,3-t...) Show SMILES CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 |TLB:12:13:17:11.10.16,16:11:18:15.17.14,16:15:18:11.10.12,THB:12:11:17:13.18.14| Show InChI InChI=1S/C40H47F3N6O5/c1-38(2,3)32(49-37(53)54-39-19-23-14-24(20-39)16-25(15-23)21-39)35(52)48-31(28-11-10-26-6-4-5-7-27(26)18-28)34(51)47-30(33(50)40(41,42)43)17-22-8-12-29(13-9-22)46-36(44)45/h4-13,18,23-25,30-32H,14-17,19-21H2,1-3H3,(H,47,51)(H,48,52)(H,49,53)(H4,44,45,46)/p+1/t23?,24?,25?,30?,31-,32-,39?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Plasmin (HP)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50074916 ([(R)-2,2-Dimethyl-1-({(S)-naphthalen-2-yl-[3,3,3-t...) Show SMILES CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 |TLB:12:13:17:11.10.16,16:11:18:15.17.14,16:15:18:11.10.12,THB:12:11:17:13.18.14| Show InChI InChI=1S/C40H47F3N6O5/c1-38(2,3)32(49-37(53)54-39-19-23-14-24(20-39)16-25(15-23)21-39)35(52)48-31(28-11-10-26-6-4-5-7-27(26)18-28)34(51)47-30(33(50)40(41,42)43)17-22-8-12-29(13-9-22)46-36(44)45/h4-13,18,23-25,30-32H,14-17,19-21H2,1-3H3,(H,47,51)(H,48,52)(H,49,53)(H4,44,45,46)/p+1/t23?,24?,25?,30?,31-,32-,39?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against human plasma Kallikrein (PK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Plasminogen (Rattus norvegicus)	BDBM50074917 (Morpholine-4-carboxylic acid ((R)-2,2-dimethyl-1-{...) Show SMILES CC(C)(C)[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F Show InChI InChI=1S/C31H40F3N7O5/c1-30(2,3)24(40-29(45)41-13-15-46-16-14-41)27(44)39-23(18-19-7-5-4-6-8-19)26(43)38-22(25(42)31(32,33)34)17-20-9-11-21(12-10-20)37-28(35)36/h4-12,22-24H,13-18H2,1-3H3,(H,38,43)(H,39,44)(H,40,45)(H4,35,36,37)/p+1/t22?,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Plasmin (HP)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50074920 (((R)-3-Phenyl-1-{(S)-2-phenyl-1-[3,3,3-trifluoro-1...) Show SMILES NC(=[NH2+])Nc1ccc(CC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCc2ccccc2)NC(=O)OC23CC4CC(CC(C4)C2)C3)C(=O)C(F)(F)F)cc1 |TLB:44:43:46:39.38.40,44:39:46:43.45.42,40:41:45:39.38.44,THB:40:39:45:41.46.42| Show InChI InChI=1S/C41H47F3N6O5/c42-41(43,44)35(51)33(20-27-11-14-31(15-12-27)47-38(45)46)48-37(53)34(21-26-9-5-2-6-10-26)49-36(52)32(16-13-25-7-3-1-4-8-25)50-39(54)55-40-22-28-17-29(23-40)19-30(18-28)24-40/h1-12,14-15,28-30,32-34H,13,16-24H2,(H,48,53)(H,49,52)(H,50,54)(H4,45,46,47)/p+1/t28?,29?,30?,32-,33?,34+,40?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Tissue Kallikrein (TK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50074919 (Morpholine-4-carboxylic acid [(R)-2,2-dimethyl-1-(...) Show SMILES CC(C)(C)[C@@H](NC(=O)N1CCOCC1)C(=O)NCC(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F Show InChI InChI=1S/C24H34F3N7O5/c1-23(2,3)18(33-22(38)34-8-10-39-11-9-34)20(37)30-13-17(35)32-16(19(36)24(25,26)27)12-14-4-6-15(7-5-14)31-21(28)29/h4-7,16,18H,8-13H2,1-3H3,(H,30,37)(H,32,35)(H,33,38)(H4,28,29,31)/p+1/t16?,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against human plasma Kallikrein (PK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50074918 (((R)-2,2-Dimethyl-1-{(S)-2-phenyl-1-[3,3,3-trifluo...) Show SMILES CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F |TLB:12:13:17:11.10.16,THB:14:15:10:13.18.12,14:13:10:15.17.16,12:11:17:13.18.14| Show InChI InChI=1S/C37H47F3N6O5/c1-35(2,3)29(46-34(50)51-36-18-23-13-24(19-36)15-25(14-23)20-36)32(49)45-28(17-21-7-5-4-6-8-21)31(48)44-27(30(47)37(38,39)40)16-22-9-11-26(12-10-22)43-33(41)42/h4-12,23-25,27-29H,13-20H2,1-3H3,(H,44,48)(H,45,49)(H,46,50)(H4,41,42,43)/p+1/t23?,24?,25?,27?,28-,29-,36?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4.73E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Tissue Kallikrein (TK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50074916 ([(R)-2,2-Dimethyl-1-({(S)-naphthalen-2-yl-[3,3,3-t...) Show SMILES CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 |TLB:12:13:17:11.10.16,16:11:18:15.17.14,16:15:18:11.10.12,THB:12:11:17:13.18.14| Show InChI InChI=1S/C40H47F3N6O5/c1-38(2,3)32(49-37(53)54-39-19-23-14-24(20-39)16-25(15-23)21-39)35(52)48-31(28-11-10-26-6-4-5-7-27(26)18-28)34(51)47-30(33(50)40(41,42)43)17-22-8-12-29(13-9-22)46-36(44)45/h4-13,18,23-25,30-32H,14-17,19-21H2,1-3H3,(H,47,51)(H,48,52)(H,49,53)(H4,44,45,46)/p+1/t23?,24?,25?,30?,31-,32-,39?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Tissue Kallikrein (TK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Plasminogen (Rattus norvegicus)	BDBM50074919 (Morpholine-4-carboxylic acid [(R)-2,2-dimethyl-1-(...) Show SMILES CC(C)(C)[C@@H](NC(=O)N1CCOCC1)C(=O)NCC(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F Show InChI InChI=1S/C24H34F3N7O5/c1-23(2,3)18(33-22(38)34-8-10-39-11-9-34)20(37)30-13-17(35)32-16(19(36)24(25,26)27)12-14-4-6-15(7-5-14)31-21(28)29/h4-7,16,18H,8-13H2,1-3H3,(H,30,37)(H,32,35)(H,33,38)(H4,28,29,31)/p+1/t16?,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Plasmin (HP)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50074919 (Morpholine-4-carboxylic acid [(R)-2,2-dimethyl-1-(...) Show SMILES CC(C)(C)[C@@H](NC(=O)N1CCOCC1)C(=O)NCC(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F Show InChI InChI=1S/C24H34F3N7O5/c1-23(2,3)18(33-22(38)34-8-10-39-11-9-34)20(37)30-13-17(35)32-16(19(36)24(25,26)27)12-14-4-6-15(7-5-14)31-21(28)29/h4-7,16,18H,8-13H2,1-3H3,(H,30,37)(H,32,35)(H,33,38)(H4,28,29,31)/p+1/t16?,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Tissue Kallikrein (TK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50074915 (((R)-2-Methyl-1-{(S)-2-phenyl-1-[3,3,3-trifluoro-1...) Show SMILES CC(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F |TLB:15:14:17:10.9.11,15:10:17:14.16.13,11:12:16:10.9.15,THB:11:10:16:12.17.13| Show InChI InChI=1S/C36H45F3N6O5/c1-20(2)29(45-34(49)50-35-17-23-12-24(18-35)14-25(13-23)19-35)32(48)44-28(16-21-6-4-3-5-7-21)31(47)43-27(30(46)36(37,38)39)15-22-8-10-26(11-9-22)42-33(40)41/h3-11,20,23-25,27-29H,12-19H2,1-2H3,(H,43,47)(H,44,48)(H,45,49)(H4,40,41,42)/p+1/t23?,24?,25?,27?,28-,29+,35?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.91E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Tissue Kallikrein (TK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50074921 ([(R)-1-({(S)-Naphthalen-2-yl-[3,3,3-trifluoro-1-(4...) Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 Show InChI InChI=1S/C37H39F3N6O5/c1-36(2,3)51-35(50)45-29(20-22-9-5-4-6-10-22)32(48)46-30(26-16-15-24-11-7-8-12-25(24)21-26)33(49)44-28(31(47)37(38,39)40)19-23-13-17-27(18-14-23)43-34(41)42/h4-18,21,28-30H,19-20H2,1-3H3,(H,44,49)(H,45,50)(H,46,48)(H4,41,42,43)/p+1/t28?,29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.23E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Tissue Kallikrein (TK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50074917 (Morpholine-4-carboxylic acid ((R)-2,2-dimethyl-1-{...) Show SMILES CC(C)(C)[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F Show InChI InChI=1S/C31H40F3N7O5/c1-30(2,3)24(40-29(45)41-13-15-46-16-14-41)27(44)39-23(18-19-7-5-4-6-8-19)26(43)38-22(25(42)31(32,33)34)17-20-9-11-21(12-10-20)37-28(35)36/h4-12,22-24H,13-18H2,1-3H3,(H,38,43)(H,39,44)(H,40,45)(H4,35,36,37)/p+1/t22?,23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	>2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Tissue Kallikrein (TK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50084758 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) Show SMILES CCOCCCOC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H27N3O8S/c1-3-28-11-4-12-29-18(23)20-9-10-21(16(13-20)17(22)19-24)30(25,26)15-7-5-14(27-2)6-8-15/h5-8,16,24H,3-4,9-13H2,1-2H3,(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-9 (MMP-9)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50084743 (4-Methanesulfonyl-1-(4-methoxy-benzenesulfonyl)-pi...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C13H19N3O7S2/c1-23-10-3-5-11(6-4-10)25(21,22)16-8-7-15(24(2,19)20)9-12(16)13(17)14-18/h3-6,12,18H,7-9H2,1-2H3,(H,14,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-9 (MMP-9)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084758 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) Show SMILES CCOCCCOC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H27N3O8S/c1-3-28-11-4-12-29-18(23)20-9-10-21(16(13-20)17(22)19-24)30(25,26)15-7-5-14(27-2)6-8-15/h5-8,16,24H,3-4,9-13H2,1-2H3,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50084726 (4-(Biphenyl-4-carbonyl)-1-(4-methoxy-benzenesulfon...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H25N3O6S/c1-34-21-11-13-22(14-12-21)35(32,33)28-16-15-27(17-23(28)24(29)26-31)25(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,23,31H,15-17H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-9 (MMP-9)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084726 (4-(Biphenyl-4-carbonyl)-1-(4-methoxy-benzenesulfon...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H25N3O6S/c1-34-21-11-13-22(14-12-21)35(32,33)28-16-15-27(17-23(28)24(29)26-31)25(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,23,31H,15-17H2,1H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084759 (4-(2-Hydroxy-3-methyl-butyryl)-1-(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)[C@@H](O)C(C)C Show InChI InChI=1S/C17H25N3O7S/c1-11(2)15(21)17(23)19-8-9-20(14(10-19)16(22)18-24)28(25,26)13-6-4-12(27-3)5-7-13/h4-7,11,14-15,21,24H,8-10H2,1-3H3,(H,18,22)/t14?,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084729 (4-Acetyl-1-(4-methoxy-benzenesulfonyl)-piperazine-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(C)=O Show InChI InChI=1S/C14H19N3O6S/c1-10(18)16-7-8-17(13(9-16)14(19)15-20)24(21,22)12-5-3-11(23-2)4-6-12/h3-6,13,20H,7-9H2,1-2H3,(H,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084734 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OCc1cccnc1 Show InChI InChI=1S/C19H22N4O7S/c1-29-15-4-6-16(7-5-15)31(27,28)23-10-9-22(12-17(23)18(24)21-26)19(25)30-13-14-3-2-8-20-11-14/h2-8,11,17,26H,9-10,12-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084743 (4-Methanesulfonyl-1-(4-methoxy-benzenesulfonyl)-pi...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C13H19N3O7S2/c1-23-10-3-5-11(6-4-10)25(21,22)16-8-7-15(24(2,19)20)9-12(16)13(17)14-18/h3-6,12,18H,7-9H2,1-2H3,(H,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084731 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES CCCN(CC1CC1)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C20H30N4O6S/c1-3-10-22(13-15-4-5-15)20(26)23-11-12-24(18(14-23)19(25)21-27)31(28,29)17-8-6-16(30-2)7-9-17/h6-9,15,18,27H,3-5,10-14H2,1-2H3,(H,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50084741 (1,4-Bis-(4-methoxy-benzenesulfonyl)-piperazine-2-c...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N3O8S2/c1-29-14-3-7-16(8-4-14)31(25,26)21-11-12-22(18(13-21)19(23)20-24)32(27,28)17-9-5-15(30-2)6-10-17/h3-10,18,24H,11-13H2,1-2H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-9 (MMP-9)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084744 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OCc1ccccc1 Show InChI InChI=1S/C20H23N3O7S/c1-29-16-7-9-17(10-8-16)31(27,28)23-12-11-22(13-18(23)19(24)21-26)20(25)30-14-15-5-3-2-4-6-15/h2-10,18,26H,11-14H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50084754 (1-(4-Methoxy-benzenesulfonyl)-4-(thiophene-2-carbo...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)c1cccs1 Show InChI InChI=1S/C17H19N3O6S2/c1-26-12-4-6-13(7-5-12)28(24,25)20-9-8-19(11-14(20)16(21)18-23)17(22)15-3-2-10-27-15/h2-7,10,14,23H,8-9,11H2,1H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-9 (MMP-9)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084741 (1,4-Bis-(4-methoxy-benzenesulfonyl)-piperazine-2-c...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N3O8S2/c1-29-14-3-7-16(8-4-14)31(25,26)21-11-12-22(18(13-21)19(23)20-24)32(27,28)17-9-5-15(30-2)6-10-17/h3-10,18,24H,11-13H2,1-2H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084761 (4-(3,5-Dimethyl-isoxazole-4-sulfonyl)-1-(4-methoxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)S(=O)(=O)c1c(C)noc1C Show InChI InChI=1S/C17H22N4O8S2/c1-11-16(12(2)29-19-11)31(26,27)20-8-9-21(15(10-20)17(22)18-23)30(24,25)14-6-4-13(28-3)5-7-14/h4-7,15,23H,8-10H2,1-3H3,(H,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084730 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES CCCCCCNC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C19H30N4O6S/c1-3-4-5-6-11-20-19(25)22-12-13-23(17(14-22)18(24)21-26)30(27,28)16-9-7-15(29-2)8-10-16/h7-10,17,26H,3-6,11-14H2,1-2H3,(H,20,25)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084747 (4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)C1CCCCC1 Show InChI InChI=1S/C19H27N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h7-10,14,17,25H,2-6,11-13H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50084746 (4-(Furan-2-carbonyl)-1-(4-methoxy-benzenesulfonyl)...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)c1ccco1 Show InChI InChI=1S/C17H19N3O7S/c1-26-12-4-6-13(7-5-12)28(24,25)20-9-8-19(11-14(20)16(21)18-23)17(22)15-3-2-10-27-15/h2-7,10,14,23H,8-9,11H2,1H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-9 (MMP-9)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50082536 (1-(4-Methoxy-benzenesulfonyl)-piperazine-2-carboxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCNCC1C(=O)NO Show InChI InChI=1S/C12H17N3O5S/c1-20-9-2-4-10(5-3-9)21(18,19)15-7-6-13-8-11(15)12(16)14-17/h2-5,11,13,17H,6-8H2,1H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50084745 (4-Hexanoyl-1-(4-methoxy-benzenesulfonyl)-piperazin...) Show SMILES CCCCCC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H27N3O6S/c1-3-4-5-6-17(22)20-11-12-21(16(13-20)18(23)19-24)28(25,26)15-9-7-14(27-2)8-10-15/h7-10,16,24H,3-6,11-13H2,1-2H3,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-9 (MMP-9)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50084745 (4-Hexanoyl-1-(4-methoxy-benzenesulfonyl)-piperazin...) Show SMILES CCCCCC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H27N3O6S/c1-3-4-5-6-17(22)20-11-12-21(16(13-20)18(23)19-24)28(25,26)15-9-7-14(27-2)8-10-15/h7-10,16,24H,3-6,11-13H2,1-2H3,(H,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50084747 (4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)C1CCCCC1 Show InChI InChI=1S/C19H27N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h7-10,14,17,25H,2-6,11-13H2,1H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-9 (MMP-9)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair

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