Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'mciver' and Initial = 'jm'   

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
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
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
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
Interstitial collagenase (Homo sapiens (Human))	BDBM50071250 (CHEMBL292545 | [(S)-3-((R)-2-Hydroxycarbamoylmethy...) Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O Show InChI InChI=1S/C21H37N3O6/c1-3-4-5-6-7-8-11-16(14-18(25)23-29)20(27)22-17-12-9-10-13-24(21(17)28)15-19(26)30-2/h16-17,29H,3-15H2,1-2H3,(H,22,27)(H,23,25)/t16-,17+/m1/s1	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair				3D Structure (docked)
Stromelysin-1 (Homo sapiens (Human))	BDBM50071248 (CHEMBL416857 | {(S)-3-[(R)-2-((R)-1-Hydroxycarbamo...) Show SMILES CCCCCCCC[C@H]([C@@H](C)C(=O)NO)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O Show InChI InChI=1S/C22H39N3O6/c1-4-5-6-7-8-9-12-17(16(2)20(27)24-30)21(28)23-18-13-10-11-14-25(22(18)29)15-19(26)31-3/h16-18,30H,4-15H2,1-3H3,(H,23,28)(H,24,27)/t16-,17-,18+/m1/s1	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3 (MMP-3)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071246 ((2R,3R)-N*1*-Hydroxy-N*4*-[(S)-1-(2-methoxy-ethyl)...) Show SMILES CCCCCCCC[C@H]([C@@H](C)C(=O)NO)C(=O)N[C@H]1CCCCN(CCOC)C1=O Show InChI InChI=1S/C22H41N3O5/c1-4-5-6-7-8-9-12-18(17(2)20(26)24-29)21(27)23-19-13-10-11-14-25(22(19)28)15-16-30-3/h17-19,29H,4-16H2,1-3H3,(H,23,27)(H,24,26)/t17-,18-,19+/m1/s1	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3 (MMP-3)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM168294 (US9675539, 1-1) Show SMILES CP(O)(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(O)COc1ccccc1 |r| Show InChI InChI=1S/C22H33O6P/c1-29(26,27)14-8-3-2-7-11-19-20(22(25)15-21(19)24)13-12-17(23)16-28-18-9-5-4-6-10-18/h2,4-7,9-10,12-13,17,19-25H,3,8,11,14-16H2,1H3,(H,26,27)/b7-2-,13-12+/t17?,19-,20-,21+,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	7.4	25
SRMLSC US Patent					Assay Description In this assay, COS-7 cells are transiently transfected with the hFP recombinant plasmid using LipofectAMINE Reagent. Forty-eight hours later, the tra...				US Patent US9675539 (2017) BindingDB Entry DOI: 10.7270/Q2GB2274
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071256 (CHEMBL417574 | {(S)-3-[(R)-2-((R)-1-Hydroxycarbamo...) Show SMILES COC(=O)CN1CCCC[C@H](NC(=O)[C@H](CC(C)C)[C@@H](C)C(=O)NO)C1=O Show InChI InChI=1S/C18H31N3O6/c1-11(2)9-13(12(3)16(23)20-26)17(24)19-14-7-5-6-8-21(18(14)25)10-15(22)27-4/h11-14,26H,5-10H2,1-4H3,(H,19,24)(H,20,23)/t12-,13-,14+/m1/s1	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	49	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair				3D Structure (docked)
Interstitial collagenase (Homo sapiens (Human))	BDBM50071244 ((2R,3R)-N*1*-Hydroxy-2-(3-hydroxy-propyl)-3-isobut...) Show SMILES COCCN1CCCC[C@H](NC(=O)[C@H](CC(C)C)[C@@H](CCCO)C(=O)NO)C1=O Show InChI InChI=1S/C20H37N3O6/c1-14(2)13-16(15(7-6-11-24)19(26)22-28)18(25)21-17-8-4-5-9-23(20(17)27)10-12-29-3/h14-17,24,28H,4-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair				3D Structure (docked)
Interstitial collagenase (Homo sapiens (Human))	BDBM50071248 (CHEMBL416857 | {(S)-3-[(R)-2-((R)-1-Hydroxycarbamo...) Show SMILES CCCCCCCC[C@H]([C@@H](C)C(=O)NO)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O Show InChI InChI=1S/C22H39N3O6/c1-4-5-6-7-8-9-12-17(16(2)20(27)24-30)21(28)23-18-13-10-11-14-25(22(18)29)15-19(26)31-3/h16-18,30H,4-15H2,1-3H3,(H,23,28)(H,24,27)/t16-,17-,18+/m1/s1	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	57	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair				3D Structure (docked)
Stromelysin-1 (Homo sapiens (Human))	BDBM50071251 (CHEMBL62436 | [(S)-3-((2R,3R)-3-Hydroxycarbamoyl-2...) Show SMILES CCC[C@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O)C(=O)NO Show InChI InChI=1S/C20H35N3O6/c1-5-8-14(19(26)22-28)15(11-13(2)3)18(25)21-16-9-6-7-10-23(20(16)27)12-17(24)29-4/h13-16,28H,5-12H2,1-4H3,(H,21,25)(H,22,26)/t14-,15-,16+/m1/s1	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	58	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3 (MMP-3)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071254 ((2R,3R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-(2-met...) Show SMILES CCC[C@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(CCOC)C1=O)C(=O)NO Show InChI InChI=1S/C20H37N3O5/c1-5-8-15(19(25)22-27)16(13-14(2)3)18(24)21-17-9-6-7-10-23(20(17)26)11-12-28-4/h14-17,27H,5-13H2,1-4H3,(H,21,24)(H,22,25)/t15-,16-,17+/m1/s1	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	83	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071254 ((2R,3R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-(2-met...) Show SMILES CCC[C@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(CCOC)C1=O)C(=O)NO Show InChI InChI=1S/C20H37N3O5/c1-5-8-15(19(25)22-27)16(13-14(2)3)18(24)21-17-9-6-7-10-23(20(17)26)11-12-28-4/h14-17,27H,5-13H2,1-4H3,(H,21,24)(H,22,25)/t15-,16-,17+/m1/s1	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	94	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3 (MMP-3)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071251 (CHEMBL62436 | [(S)-3-((2R,3R)-3-Hydroxycarbamoyl-2...) Show SMILES CCC[C@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O)C(=O)NO Show InChI InChI=1S/C20H35N3O6/c1-5-8-14(19(26)22-28)15(11-13(2)3)18(25)21-16-9-6-7-10-23(20(16)27)12-17(24)29-4/h13-16,28H,5-12H2,1-4H3,(H,21,25)(H,22,26)/t14-,15-,16+/m1/s1	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	96	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair				3D Structure (docked)
Stromelysin-1 (Homo sapiens (Human))	BDBM50071244 ((2R,3R)-N*1*-Hydroxy-2-(3-hydroxy-propyl)-3-isobut...) Show SMILES COCCN1CCCC[C@H](NC(=O)[C@H](CC(C)C)[C@@H](CCCO)C(=O)NO)C1=O Show InChI InChI=1S/C20H37N3O6/c1-14(2)13-16(15(7-6-11-24)19(26)22-28)18(25)21-17-8-4-5-9-23(20(17)27)10-12-29-3/h14-17,24,28H,4-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3 (MMP-3)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071253 ((2R,3S)-N*1*-Hydroxy-N*4*-[(S)-1-(2-methoxy-ethyl)...) Show SMILES CCCCCCCC[C@H]([C@H](C)C(=O)NO)C(=O)N[C@H]1CCCCN(CCOC)C1=O Show InChI InChI=1S/C22H41N3O5/c1-4-5-6-7-8-9-12-18(17(2)20(26)24-29)21(27)23-19-13-10-11-14-25(22(19)28)15-16-30-3/h17-19,29H,4-16H2,1-3H3,(H,23,27)(H,24,26)/t17-,18+,19-/m0/s1	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	108	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3 (MMP-3)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071246 ((2R,3R)-N*1*-Hydroxy-N*4*-[(S)-1-(2-methoxy-ethyl)...) Show SMILES CCCCCCCC[C@H]([C@@H](C)C(=O)NO)C(=O)N[C@H]1CCCCN(CCOC)C1=O Show InChI InChI=1S/C22H41N3O5/c1-4-5-6-7-8-9-12-18(17(2)20(26)24-29)21(27)23-19-13-10-11-14-25(22(19)28)15-16-30-3/h17-19,29H,4-16H2,1-3H3,(H,23,27)(H,24,26)/t17-,18-,19+/m1/s1	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	112	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair				3D Structure (docked)
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM168313 (US9675539, 1-2) Show SMILES CCCCCC(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCP(C)(O)=O |r| Show InChI InChI=1S/C20H37O5P/c1-3-4-7-10-16(21)12-13-18-17(19(22)15-20(18)23)11-8-5-6-9-14-26(2,24)25/h5,8,12-13,16-23H,3-4,6-7,9-11,14-15H2,1-2H3,(H,24,25)/b8-5-,13-12+/t16?,17-,18-,19+,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	114	n/a	n/a	n/a	n/a	7.4	25
SRMLSC US Patent					Assay Description In this assay, COS-7 cells are transiently transfected with the hFP recombinant plasmid using LipofectAMINE Reagent. Forty-eight hours later, the tra...				US Patent US9675539 (2017) BindingDB Entry DOI: 10.7270/Q2GB2274
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071247 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-oxo-1-(2-p...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CCOc2ccccc2)C1=O Show InChI InChI=1S/C22H33N3O5/c1-16(2)14-17(15-20(26)24-29)21(27)23-19-10-6-7-11-25(22(19)28)12-13-30-18-8-4-3-5-9-18/h3-5,8-9,16-17,19,29H,6-7,10-15H2,1-2H3,(H,23,27)(H,24,26)/t17-,19+/m1/s1	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	117	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071255 (CHEMBL61679 | [(S)-3-((R)-2-Hydroxycarbamoylmethyl...) Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O Show InChI InChI=1S/C18H31N3O6/c1-3-4-5-8-13(11-15(22)20-26)17(24)19-14-9-6-7-10-21(18(14)25)12-16(23)27-2/h13-14,26H,3-12H2,1-2H3,(H,19,24)(H,20,22)/t13-,14+/m1/s1	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	129	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair				3D Structure (docked)
Interstitial collagenase (Homo sapiens (Human))	BDBM50071249 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-oxo-1-(3-p...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CCCOc2ccccc2)C1=O Show InChI InChI=1S/C23H35N3O5/c1-17(2)15-18(16-21(27)25-30)22(28)24-20-11-6-7-12-26(23(20)29)13-8-14-31-19-9-4-3-5-10-19/h3-5,9-10,17-18,20,30H,6-8,11-16H2,1-2H3,(H,24,28)(H,25,27)/t18-,20+/m1/s1	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	140	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071256 (CHEMBL417574 | {(S)-3-[(R)-2-((R)-1-Hydroxycarbamo...) Show SMILES COC(=O)CN1CCCC[C@H](NC(=O)[C@H](CC(C)C)[C@@H](C)C(=O)NO)C1=O Show InChI InChI=1S/C18H31N3O6/c1-11(2)9-13(12(3)16(23)20-26)17(24)19-14-7-5-6-8-21(18(14)25)10-15(22)27-4/h11-14,26H,5-10H2,1-4H3,(H,19,24)(H,20,23)/t12-,13-,14+/m1/s1	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	215	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3 (MMP-3)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071245 (CHEMBL62709 | [(S)-3-((R)-2-Hydroxycarbamoylmethyl...) Show SMILES COC(=O)CN1CCCC[C@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C1=O Show InChI InChI=1S/C17H29N3O6/c1-11(2)8-12(9-14(21)19-25)16(23)18-13-6-4-5-7-20(17(13)24)10-15(22)26-3/h11-13,25H,4-10H2,1-3H3,(H,18,23)(H,19,21)/t12-,13+/m1/s1	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	225	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair				3D Structure (docked)
Stromelysin-1 (Homo sapiens (Human))	BDBM50071243 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-(2-methoxy-ethyl)-2-o...) Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CCOC)C1=O Show InChI InChI=1S/C21H39N3O5/c1-3-4-5-6-7-8-11-17(16-19(25)23-28)20(26)22-18-12-9-10-13-24(21(18)27)14-15-29-2/h17-18,28H,3-16H2,1-2H3,(H,22,26)(H,23,25)/t17-,18+/m1/s1	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3 (MMP-3)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071247 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-oxo-1-(2-p...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CCOc2ccccc2)C1=O Show InChI InChI=1S/C22H33N3O5/c1-16(2)14-17(15-20(26)24-29)21(27)23-19-10-6-7-11-25(22(19)28)12-13-30-18-8-4-3-5-9-18/h3-5,8-9,16-17,19,29H,6-7,10-15H2,1-2H3,(H,23,27)(H,24,26)/t17-,19+/m1/s1	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	518	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3 (MMP-3)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071255 (CHEMBL61679 | [(S)-3-((R)-2-Hydroxycarbamoylmethyl...) Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O Show InChI InChI=1S/C18H31N3O6/c1-3-4-5-8-13(11-15(22)20-26)17(24)19-14-9-6-7-10-21(18(14)25)12-16(23)27-2/h13-14,26H,3-12H2,1-2H3,(H,19,24)(H,20,22)/t13-,14+/m1/s1	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	824	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3 (MMP-3)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071250 (CHEMBL292545 | [(S)-3-((R)-2-Hydroxycarbamoylmethy...) Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O Show InChI InChI=1S/C21H37N3O6/c1-3-4-5-6-7-8-11-16(14-18(25)23-29)20(27)22-17-12-9-10-13-24(21(17)28)15-19(26)30-2/h16-17,29H,3-15H2,1-2H3,(H,22,27)(H,23,25)/t16-,17+/m1/s1	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	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3 (MMP-3)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50071249 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-oxo-1-(3-p...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CCCOc2ccccc2)C1=O Show InChI InChI=1S/C23H35N3O5/c1-17(2)15-18(16-21(27)25-30)22(28)24-20-11-6-7-12-26(23(20)29)13-8-14-31-19-9-4-3-5-10-19/h3-5,9-10,17-18,20,30H,6-8,11-16H2,1-2H3,(H,24,28)(H,25,27)/t18-,20+/m1/s1	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	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3 (MMP-3)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071243 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-(2-methoxy-ethyl)-2-o...) Show SMILES CCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CCOC)C1=O Show InChI InChI=1S/C21H39N3O5/c1-3-4-5-6-7-8-11-17(16-19(25)23-28)20(26)22-18-12-9-10-13-24(21(18)27)14-15-29-2/h17-18,28H,3-16H2,1-2H3,(H,22,26)(H,23,25)/t17-,18+/m1/s1	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	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair				3D Structure (docked)
Stromelysin-1 (Homo sapiens (Human))	BDBM50071245 (CHEMBL62709 | [(S)-3-((R)-2-Hydroxycarbamoylmethyl...) Show SMILES COC(=O)CN1CCCC[C@H](NC(=O)[C@H](CC(C)C)CC(=O)NO)C1=O Show InChI InChI=1S/C17H29N3O6/c1-11(2)8-12(9-14(21)19-25)16(23)18-13-6-4-5-7-20(17(13)24)10-15(22)26-3/h11-13,25H,4-10H2,1-3H3,(H,18,23)(H,19,21)/t12-,13+/m1/s1	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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-3 (MMP-3)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071252 ((R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-2-oxo-azepan...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCNC1=O Show InChI InChI=1S/C14H25N3O4/c1-9(2)7-10(8-12(18)17-21)13(19)16-11-5-3-4-6-15-14(11)20/h9-11,21H,3-8H2,1-2H3,(H,15,20)(H,16,19)(H,17,18)/t10-,11+/m1/s1	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	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50071253 ((2R,3S)-N*1*-Hydroxy-N*4*-[(S)-1-(2-methoxy-ethyl)...) Show SMILES CCCCCCCC[C@H]([C@H](C)C(=O)NO)C(=O)N[C@H]1CCCCN(CCOC)C1=O Show InChI InChI=1S/C22H41N3O5/c1-4-5-6-7-8-9-12-18(17(2)20(26)24-29)21(27)23-19-13-10-11-14-25(22(19)28)15-16-30-3/h17-19,29H,4-16H2,1-3H3,(H,23,27)(H,24,26)/t17-,18+,19-/m0/s1	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	4.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 8: 2077-80 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4HN6
					More data for this Ligand-Target Pair				3D Structure (docked)

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