Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'bogyo' and Initial = 'm'   

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
Prothrombin (Homo sapiens (Human))	BDBM50410910 (CHEMBL377651) Show SMILES NCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C43H65N6O11PS/c44-21-10-9-19-39(61(54,59-33-12-3-1-4-13-33)60-34-14-5-2-6-15-34)47-42(52)36-16-11-23-49(36)40(51)20-24-55-26-28-57-30-31-58-29-27-56-25-22-45-38(50)18-8-7-17-37-41-35(32-62-37)46-43(53)48-41/h1-6,12-15,35-37,39,41H,7-11,16-32,44H2,(H,45,50)(H,47,52)(H2,46,48,53)/t35-,36-,37-,39-,41-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2882-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.012 BindingDB Entry DOI: 10.7270/Q2H41SN2
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50410912 (CHEMBL379174) Show SMILES NCCCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C42H64N7O12PS/c43-19-10-9-17-39(62(55,60-31-11-3-1-4-12-31)61-32-13-5-2-6-14-32)48-41(53)33(29-36(44)50)46-38(52)18-21-56-23-25-58-27-28-59-26-24-57-22-20-45-37(51)16-8-7-15-35-40-34(30-63-35)47-42(54)49-40/h1-6,11-14,33-35,39-40H,7-10,15-30,43H2,(H2,44,50)(H,45,51)(H,46,52)(H,48,53)(H2,47,49,54)/t33-,34-,35-,39-,40-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of beta tryptase				Bioorg Med Chem Lett 16: 2882-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.012 BindingDB Entry DOI: 10.7270/Q2H41SN2
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50410910 (CHEMBL377651) Show SMILES NCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C43H65N6O11PS/c44-21-10-9-19-39(61(54,59-33-12-3-1-4-13-33)60-34-14-5-2-6-15-34)47-42(52)36-16-11-23-49(36)40(51)20-24-55-26-28-57-30-31-58-29-27-56-25-22-45-38(50)18-8-7-17-37-41-35(32-62-37)46-43(53)48-41/h1-6,12-15,35-37,39,41H,7-11,16-32,44H2,(H,45,50)(H,47,52)(H2,46,48,53)/t35-,36-,37-,39-,41-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of plasmin				Bioorg Med Chem Lett 16: 2882-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.012 BindingDB Entry DOI: 10.7270/Q2H41SN2
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50410912 (CHEMBL379174) Show SMILES NCCCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C42H64N7O12PS/c43-19-10-9-17-39(62(55,60-31-11-3-1-4-12-31)61-32-13-5-2-6-14-32)48-41(53)33(29-36(44)50)46-38(52)18-21-56-23-25-58-27-28-59-26-24-57-22-20-45-37(51)16-8-7-15-35-40-34(30-63-35)47-42(54)49-40/h1-6,11-14,33-35,39-40H,7-10,15-30,43H2,(H2,44,50)(H,45,51)(H,46,52)(H,48,53)(H2,47,49,54)/t33-,34-,35-,39-,40-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of plasmin				Bioorg Med Chem Lett 16: 2882-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.012 BindingDB Entry DOI: 10.7270/Q2H41SN2
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50410910 (CHEMBL377651) Show SMILES NCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C43H65N6O11PS/c44-21-10-9-19-39(61(54,59-33-12-3-1-4-13-33)60-34-14-5-2-6-15-34)47-42(52)36-16-11-23-49(36)40(51)20-24-55-26-28-57-30-31-58-29-27-56-25-22-45-38(50)18-8-7-17-37-41-35(32-62-37)46-43(53)48-41/h1-6,12-15,35-37,39,41H,7-11,16-32,44H2,(H,45,50)(H,47,52)(H2,46,48,53)/t35-,36-,37-,39-,41-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of beta tryptase				Bioorg Med Chem Lett 16: 2882-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.012 BindingDB Entry DOI: 10.7270/Q2H41SN2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50410911 (CHEMBL377737) Show SMILES CCOP(F)(=O)CCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 Show InChI InChI=1S/C38H72FN4O12PS/c1-2-55-56(39,47)31-11-7-5-3-4-6-8-13-35(44)40-15-17-48-19-21-50-23-25-52-27-29-54-30-28-53-26-24-51-22-20-49-18-16-41-36(45)14-10-9-12-34-37-33(32-57-34)42-38(46)43-37/h33-34,37H,2-32H2,1H3,(H,40,44)(H,41,45)(H2,42,43,46)/t33-,34-,37-,56?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2882-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.012 BindingDB Entry DOI: 10.7270/Q2H41SN2
					More data for this Ligand-Target Pair
Tryptase beta-2 (Homo sapiens (Human))	BDBM50410911 (CHEMBL377737) Show SMILES CCOP(F)(=O)CCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 Show InChI InChI=1S/C38H72FN4O12PS/c1-2-55-56(39,47)31-11-7-5-3-4-6-8-13-35(44)40-15-17-48-19-21-50-23-25-52-27-29-54-30-28-53-26-24-51-22-20-49-18-16-41-36(45)14-10-9-12-34-37-33(32-57-34)42-38(46)43-37/h33-34,37H,2-32H2,1H3,(H,40,44)(H,41,45)(H2,42,43,46)/t33-,34-,37-,56?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of beta tryptase				Bioorg Med Chem Lett 16: 2882-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.012 BindingDB Entry DOI: 10.7270/Q2H41SN2
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50410911 (CHEMBL377737) Show SMILES CCOP(F)(=O)CCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 Show InChI InChI=1S/C38H72FN4O12PS/c1-2-55-56(39,47)31-11-7-5-3-4-6-8-13-35(44)40-15-17-48-19-21-50-23-25-52-27-29-54-30-28-53-26-24-51-22-20-49-18-16-41-36(45)14-10-9-12-34-37-33(32-57-34)42-38(46)43-37/h33-34,37H,2-32H2,1H3,(H,40,44)(H,41,45)(H2,42,43,46)/t33-,34-,37-,56?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of plasmin				Bioorg Med Chem Lett 16: 2882-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.012 BindingDB Entry DOI: 10.7270/Q2H41SN2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50410912 (CHEMBL379174) Show SMILES NCCCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)P(=O)(Oc1ccccc1)Oc1ccccc1 Show InChI InChI=1S/C42H64N7O12PS/c43-19-10-9-17-39(62(55,60-31-11-3-1-4-12-31)61-32-13-5-2-6-14-32)48-41(53)33(29-36(44)50)46-38(52)18-21-56-23-25-58-27-28-59-26-24-57-22-20-45-37(51)16-8-7-15-35-40-34(30-63-35)47-42(54)49-40/h1-6,11-14,33-35,39-40H,7-10,15-30,43H2,(H2,44,50)(H,45,51)(H,46,52)(H,48,53)(H2,47,49,54)/t33-,34-,35-,39-,40-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2882-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.012 BindingDB Entry DOI: 10.7270/Q2H41SN2
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM50364367 (CHEMBL1950283) Show SMILES CCOC(=O)C1OC1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(CC1)NC(C)=O |r| Show InChI InChI=1S/C19H27N5O8/c1-3-31-17(29)14-13(32-14)16(28)24(9-12(20)26)22-15(27)11-5-4-8-23(11)18(30)19(6-7-19)21-10(2)25/h11,13-14H,3-9H2,1-2H3,(H2,20,26)(H,21,25)(H,22,27)/t11-,13?,14?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM50364353 (CHEMBL1950109) Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC)NC(C)=O |r| Show InChI InChI=1S/C19H29N5O7/c1-4-13(21-12(3)25)19(30)23-10-6-7-14(23)18(29)22-24(11-15(20)26)16(27)8-9-17(28)31-5-2/h8-9,13-14H,4-7,10-11H2,1-3H3,(H2,20,26)(H,21,25)(H,22,29)/b9-8+/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair
Cathepsin B (Rattus norvegicus)	BDBM36331 (Ac-YFR-AMOK 10b) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#8]-[#6](=O)-c1c(-[#6])cccc1-[#6] Show InChI InChI=1S/C36H44N6O7/c1-22-9-7-10-23(2)32(22)35(48)49-21-31(45)28(13-8-18-39-36(37)38)41-34(47)30(19-25-11-5-4-6-12-25)42-33(46)29(40-24(3)43)20-26-14-16-27(44)17-15-26/h4-7,9-12,14-17,28-30,44H,8,13,18-21H2,1-3H3,(H,40,43)(H,41,47)(H,42,46)(H4,37,38,39)/t28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	5.5	37
Stanford University					Assay Description Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H				Nat Chem Biol 1: 33-8 (2005) Article DOI: 10.1038/nchembio707 BindingDB Entry DOI: 10.7270/Q22V2DGV
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM50364366 (CHEMBL1950282) Show SMILES CCOC(=O)C1OC1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC)NC(C)=O |r| Show InChI InChI=1S/C19H29N5O8/c1-4-11(21-10(3)25)17(28)23-8-6-7-12(23)16(27)22-24(9-13(20)26)18(29)14-15(32-14)19(30)31-5-2/h11-12,14-15H,4-9H2,1-3H3,(H2,20,26)(H,21,25)(H,22,27)/t11-,12-,14?,15?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM228618 (BDBM50364365 | US9345789, LI-2) Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r| Show InChI InChI=1S/C15H22N4O6/c1-3-25-14(23)7-6-13(22)19(9-12(16)21)17-15(24)11-5-4-8-18(11)10(2)20/h6-7,11H,3-5,8-9H2,1-2H3,(H2,16,21)(H,17,24)/b7-6+/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM50364368 (CHEMBL1950284) Show SMILES CCOC(=O)C1OC1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC#C)NC(C)=O |r| Show InChI InChI=1S/C20H27N5O8/c1-4-7-12(22-11(3)26)18(29)24-9-6-8-13(24)17(28)23-25(10-14(21)27)19(30)15-16(33-15)20(31)32-5-2/h1,12-13,15-16H,5-10H2,2-3H3,(H2,21,27)(H,22,26)(H,23,28)/t12-,13-,15?,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM36332 (LI-1 | Legumain Inhibitor -1) Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r| Show InChI InChI=1S/C15H22N4O7/c1-3-25-15(24)12-11(26-12)14(23)19(7-10(16)21)17-13(22)9-5-4-6-18(9)8(2)20/h9,11-12H,3-7H2,1-2H3,(H2,16,21)(H,17,22)/t9-,11-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM50364356 (CHEMBL1950112) Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1(CC1)NC(C)=O |r| Show InChI InChI=1S/C19H27N5O7/c1-3-31-16(28)7-6-15(27)24(11-14(20)26)22-17(29)13-5-4-10-23(13)18(30)19(8-9-19)21-12(2)25/h6-7,13H,3-5,8-11H2,1-2H3,(H2,20,26)(H,21,25)(H,22,29)/b7-6+/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM228617 (US9345789, LI-0) Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(C)cccc1C |r| Show InChI InChI=1S/C21H26N2O7/c1-12-6-4-7-13(2)19(12)21(29)30-11-17(25)15(10-18(26)27)22-20(28)16-8-5-9-23(16)14(3)24/h4,6-7,15-16H,5,8-11H2,1-3H3,(H,22,28)(H,26,27)/t15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.5	n/a	n/a	n/a	n/a	5.8	n/a
The Board of Trustees of the Leland Stanford Junior University US Patent					Assay Description Assay buffers consist of 20 mM citric acid, 60 mM disodium hydrogen orthophosphate, 1 mM EDTA, 0.1% CHAPS, 4 mM DTT, pH 5.8 for legumain, 50 mM dihyd...				US Patent US9345789 (2016) BindingDB Entry DOI: 10.7270/Q2610Z63
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM36332 (LI-1 | Legumain Inhibitor -1) Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r| Show InChI InChI=1S/C15H22N4O7/c1-3-25-15(24)12-11(26-12)14(23)19(7-10(16)21)17-13(22)9-5-4-6-18(9)8(2)20/h9,11-12H,3-7H2,1-2H3,(H2,16,21)(H,17,22)/t9-,11-,12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	5.8	25
Stanford University					Assay Description IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).				ACS Chem Biol 5: 233-43 (2010) Article DOI: 10.1021/cb900232a BindingDB Entry DOI: 10.7270/Q2Z31X0W
					More data for this Ligand-Target Pair
Cathepsin B (Rattus norvegicus)	BDBM36328 (Z-FR-AMOK 9b) Show SMILES [#6]-c1cccc(-[#6])c1-[#6](=O)-[#8]-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1 Show InChI InChI=1S/C33H39N5O6/c1-22-11-9-12-23(2)29(22)31(41)43-21-28(39)26(17-10-18-36-32(34)35)37-30(40)27(19-24-13-5-3-6-14-24)38-33(42)44-20-25-15-7-4-8-16-25/h3-9,11-16,26-27H,10,17-21H2,1-2H3,(H,37,40)(H,38,42)(H4,34,35,36)/t26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	5.5	37
Stanford University					Assay Description Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H				Nat Chem Biol 1: 33-8 (2005) Article DOI: 10.1038/nchembio707 BindingDB Entry DOI: 10.7270/Q22V2DGV
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM50364358 (CHEMBL1950273) Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC#C)NC(C)=O |r| Show InChI InChI=1S/C20H27N5O7/c1-4-7-14(22-13(3)26)20(31)24-11-6-8-15(24)19(30)23-25(12-16(21)27)17(28)9-10-18(29)32-5-2/h1,9-10,14-15H,5-8,11-12H2,2-3H3,(H2,21,27)(H,22,26)(H,23,30)/b10-9+/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81407 (ML4118 | ML4118R | ML4118S) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)C1CCCC1 |w:4.3| Show InChI InChI=1S/C22H28F4N4O2/c1-3-4-9-16(17(31)12-32-21-19(25)14(23)10-15(24)20(21)26)30-11-18(28-29-30)22(2,27)13-7-5-6-8-13/h10-11,13,16H,3-9,12,27H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM36812 (CA-074) Show SMILES CCCNC1OC1C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C17H29N3O5/c1-4-8-18-15-13(25-15)14(21)19-12(10(3)5-2)16(22)20-9-6-7-11(20)17(23)24/h10-13,15,18H,4-9H2,1-3H3,(H,19,21)(H,23,24)/t10?,11-,12+,13?,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	5.5	25
University of California, San Francisco					Assay Description Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...				Chem Biol 7: 27-38 (2000) Article DOI: 10.1016/s1074-5521(00)00061-2 BindingDB Entry DOI: 10.7270/Q24B2ZN5
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM36813 (CA-074b) Show SMILES CCC(C)[C@H](NC(=O)C1OC1NCC(C)C)C(=O)N1CCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C18H31N3O5/c1-5-11(4)13(17(23)21-8-6-7-12(21)18(24)25)20-15(22)14-16(26-14)19-9-10(2)3/h10-14,16,19H,5-9H2,1-4H3,(H,20,22)(H,24,25)/t11?,12-,13+,14?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	5.5	25
University of California, San Francisco					Assay Description Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...				Chem Biol 7: 27-38 (2000) Article DOI: 10.1016/s1074-5521(00)00061-2 BindingDB Entry DOI: 10.7270/Q24B2ZN5
					More data for this Ligand-Target Pair
Cathepsin B (Rattus norvegicus)	BDBM36327 (Z-FG-AOMK 9a) Show SMILES Cc1cccc(C)c1C(=O)OCC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C29H30N2O6/c1-20-10-9-11-21(2)26(20)28(34)36-19-24(32)17-30-27(33)25(16-22-12-5-3-6-13-22)31-29(35)37-18-23-14-7-4-8-15-23/h3-15,25H,16-19H2,1-2H3,(H,30,33)(H,31,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	5.5	37
Stanford University					Assay Description Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H				Nat Chem Biol 1: 33-8 (2005) Article DOI: 10.1038/nchembio707 BindingDB Entry DOI: 10.7270/Q22V2DGV
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM228619 (US9345789, Z-DEVD-FMK) Show SMILES COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)OC)C(=O)CF Show InChI InChI=1S/C30H41FN4O12/c1-17(2)26(29(42)33-20(22(36)15-31)13-24(38)45-4)35-27(40)19(11-12-23(37)44-3)32-28(41)21(14-25(39)46-5)34-30(43)47-16-18-9-7-6-8-10-18/h6-10,17,19-21,26H,11-16H2,1-5H3,(H,32,41)(H,33,42)(H,34,43)(H,35,40)/t19-,20-,21-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	5.8	n/a
The Board of Trustees of the Leland Stanford Junior University US Patent					Assay Description Assay buffers consist of 20 mM citric acid, 60 mM disodium hydrogen orthophosphate, 1 mM EDTA, 0.1% CHAPS, 4 mM DTT, pH 5.8 for legumain, 50 mM dihyd...				US Patent US9345789 (2016) BindingDB Entry DOI: 10.7270/Q2610Z63
					More data for this Ligand-Target Pair
Caspase-3 (Mus musculus)	BDBM228619 (US9345789, Z-DEVD-FMK) Show SMILES COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)OC)C(=O)CF Show InChI InChI=1S/C30H41FN4O12/c1-17(2)26(29(42)33-20(22(36)15-31)13-24(38)45-4)35-27(40)19(11-12-23(37)44-3)32-28(41)21(14-25(39)46-5)34-30(43)47-16-18-9-7-6-8-10-18/h6-10,17,19-21,26H,11-16H2,1-5H3,(H,32,41)(H,33,42)(H,34,43)(H,35,40)/t19-,20-,21-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.4	25
Stanford University					Assay Description IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).				ACS Chem Biol 5: 233-43 (2010) Article DOI: 10.1021/cb900232a BindingDB Entry DOI: 10.7270/Q2Z31X0W
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM50364354 (CHEMBL1950110) Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C(\NC(C)=O)=C\C |r| Show InChI InChI=1S/C19H27N5O7/c1-4-13(21-12(3)25)19(30)23-10-6-7-14(23)18(29)22-24(11-15(20)26)16(27)8-9-17(28)31-5-2/h4,8-9,14H,5-7,10-11H2,1-3H3,(H2,20,26)(H,21,25)(H,22,29)/b9-8+,13-4-/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM228617 (US9345789, LI-0) Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(C)cccc1C |r| Show InChI InChI=1S/C21H26N2O7/c1-12-6-4-7-13(2)19(12)21(29)30-11-17(25)15(10-18(26)27)22-20(28)16-8-5-9-23(16)14(3)24/h4,6-7,15-16H,5,8-11H2,1-3H3,(H,22,28)(H,26,27)/t15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	145	n/a	n/a	n/a	n/a	5.8	n/a
The Board of Trustees of the Leland Stanford Junior University US Patent					Assay Description Assay buffers consist of 20 mM citric acid, 60 mM disodium hydrogen orthophosphate, 1 mM EDTA, 0.1% CHAPS, 4 mM DTT, pH 5.8 for legumain, 50 mM dihyd...				US Patent US9345789 (2016) BindingDB Entry DOI: 10.7270/Q2610Z63
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM50364355 (CHEMBL1950111) Show SMILES [#6]-[#6]-[#8]-[#6](=O)\[#6]=[#6]\[#6](=O)-[#7](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](\[#7]-[#6](-[#6])=O)=[#6](\[#6])-[#6] |r| Show InChI InChI=1S/C20H29N5O7/c1-5-32-17(29)9-8-16(28)25(11-15(21)27)23-19(30)14-7-6-10-24(14)20(31)18(12(2)3)22-13(4)26/h8-9,14H,5-7,10-11H2,1-4H3,(H2,21,27)(H,22,26)(H,23,30)/b9-8+/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM50364360 (CHEMBL1950275) Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CSCN1C(C)=O |r| Show InChI InChI=1S/C19H27N5O7S/c1-3-31-17(28)7-6-16(27)24(9-15(20)26)21-18(29)13-5-4-8-22(13)19(30)14-10-32-11-23(14)12(2)25/h6-7,13-14H,3-5,8-11H2,1-2H3,(H2,20,26)(H,21,29)/b7-6+/t13-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81407 (ML4118 | ML4118R | ML4118S) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)C1CCCC1 |w:4.3| Show InChI InChI=1S/C22H28F4N4O2/c1-3-4-9-16(17(31)12-32-21-19(25)14(23)10-15(24)20(21)26)30-11-18(28-29-30)22(2,27)13-7-5-6-8-13/h10-11,13,16H,3-9,12,27H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM50364357 (CHEMBL1950272) Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(C)=O |r| Show InChI InChI=1S/C19H29N5O7/c1-5-31-16(28)9-8-15(27)24(11-14(20)26)22-17(29)13-7-6-10-23(13)18(30)19(3,4)21-12(2)25/h8-9,13H,5-7,10-11H2,1-4H3,(H2,20,26)(H,21,25)(H,22,29)/b9-8+/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair
Cathepsin B (Rattus norvegicus)	BDBM36330 (AC-YFG-AMOK 10a) Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C Show InChI InChI=1S/C32H35N3O7/c1-20-8-7-9-21(2)29(20)32(41)42-19-26(38)18-33-30(39)27(16-23-10-5-4-6-11-23)35-31(40)28(34-22(3)36)17-24-12-14-25(37)15-13-24/h4-15,27-28,37H,16-19H2,1-3H3,(H,33,39)(H,34,36)(H,35,40)/t27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	5.5	37
Stanford University					Assay Description Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H				Nat Chem Biol 1: 33-8 (2005) Article DOI: 10.1038/nchembio707 BindingDB Entry DOI: 10.7270/Q22V2DGV
					More data for this Ligand-Target Pair
Sentrin-specific protease 2 (Homo sapiens (Human))	BDBM81515 (VEA-499) Show SMILES C[C@H](O)C(NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1ccc(O)c(c1)N(=O)=O)C(=O)NCC(=O)NCC(=O)COC(=O)c1c2ccccc2cc2ccccc12 |r| Show InChI InChI=1S/C37H38N6O12/c1-20(44)34(42-35(50)27(11-13-30(38)47)41-31(48)15-21-10-12-29(46)28(14-21)43(53)54)36(51)40-18-32(49)39-17-24(45)19-55-37(52)33-25-8-4-2-6-22(25)16-23-7-3-5-9-26(23)33/h2-10,12,14,16,20,27,34,44,46H,11,13,15,17-19H2,1H3,(H2,38,47)(H,39,49)(H,40,51)(H,41,48)(H,42,50)/t20-,27-,34?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	8.0	37
Stanford University					Assay Description The fluorogenic substrate library screen was performed with hSENP1 in low salt tris buffer at final concentration of 2uM. Fluorophore release (AFC) ...				Chem Biol 18: 722-32 (2011) Article DOI: 10.1016/j.chembiol.2011.05.008 BindingDB Entry DOI: 10.7270/Q2542M2N
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM50364363 (CHEMBL1950278) Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(CNC(C)=O)cc1 |r| Show InChI InChI=1S/C23H29N5O7/c1-3-35-21(32)11-10-20(31)28(14-19(24)30)26-22(33)18-5-4-12-27(18)23(34)17-8-6-16(7-9-17)13-25-15(2)29/h6-11,18H,3-5,12-14H2,1-2H3,(H2,24,30)(H,25,29)(H,26,33)/b11-10+/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	267	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM36814 (MB-074) Show SMILES CCC(C)[C@H](NC(=O)C1OC1NCCc1ccc(O)cc1)C(=O)N1OCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C21H29N3O7/c1-3-12(2)16(20(27)24-15(21(28)29)9-11-30-24)23-18(26)17-19(31-17)22-10-8-13-4-6-14(25)7-5-13/h4-7,12,15-17,19,22,25H,3,8-11H2,1-2H3,(H,23,26)(H,28,29)/t12?,15-,16+,17?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	5.5	25
University of California, San Francisco					Assay Description Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...				Chem Biol 7: 27-38 (2000) Article DOI: 10.1016/s1074-5521(00)00061-2 BindingDB Entry DOI: 10.7270/Q24B2ZN5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81405 (ML4123) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)(N)CCC |w:4.3| Show InChI InChI=1S/C20H26F4N4O2/c1-4-6-7-14(28-10-16(26-27-28)20(3,25)8-5-2)15(29)11-30-19-17(23)12(21)9-13(22)18(19)24/h9-10,14H,4-8,11,25H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81404 (ML4161) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(N)(CC)CC |w:4.3| Show InChI InChI=1S/C20H26F4N4O2/c1-4-7-8-14(28-10-16(26-27-28)20(25,5-2)6-3)15(29)11-30-19-17(23)12(21)9-13(22)18(19)24/h9-10,14H,4-8,11,25H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81414 (ML6076) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C1(C)CCCN1 |w:4.3| Show InChI InChI=1S/C20H24F4N4O2/c1-3-4-6-14(28-10-16(26-27-28)20(2)7-5-8-25-20)15(29)11-30-19-17(23)12(21)9-13(22)18(19)24/h9-10,14,25H,3-8,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81403 (HN3019) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C1(N)CCCCC1 |w:4.3| Show InChI InChI=1S/C21H26F4N4O2/c1-2-3-7-15(29-11-17(27-28-29)21(26)8-5-4-6-9-21)16(30)12-31-20-18(24)13(22)10-14(23)19(20)25/h10-11,15H,2-9,12,26H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM50364359 (CHEMBL1950274) Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)=O |r| Show InChI InChI=1S/C21H31N5O7/c1-3-33-19(30)10-9-18(29)26(13-17(22)28)23-20(31)15-8-6-12-25(15)21(32)16-7-4-5-11-24(16)14(2)27/h9-10,15-16H,3-8,11-13H2,1-2H3,(H2,22,28)(H,23,31)/b10-9+/t15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	638	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81406 (ML4124) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(N)(CCC)CCC |w:4.3| Show InChI InChI=1S/C22H30F4N4O2/c1-4-7-8-16(30-12-18(28-29-30)22(27,9-5-2)10-6-3)17(31)13-32-21-19(25)14(23)11-15(24)20(21)26/h11-12,16H,4-10,13,27H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81397 (ML4057) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)C(C)N |w:4.3| Show InChI InChI=1S/C17H20F4N4O2/c1-3-4-5-13(25-7-12(9(2)22)23-24-25)14(26)8-27-17-15(20)10(18)6-11(19)16(17)21/h6-7,9,13H,3-5,8,22H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Mus musculus)	BDBM81399 (ML4046A) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(N)C1CCCCC1 |r,w:4.3| Show InChI InChI=1S/C23H30F4N4O2/c1-3-4-10-17(18(32)13-33-22-20(26)15(24)11-16(25)21(22)27)31-12-19(29-30-31)23(2,28)14-8-6-5-7-9-14/h11-12,14,17H,3-10,13,28H2,1-2H3/t17?,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Stanford School of Medicine					Assay Description DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay. IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 n...				Chem Biol 17: 808-19 (2010) Article DOI: 10.1016/j.chembiol.2010.06.007 BindingDB Entry DOI: 10.7270/Q2R20ZTG
					More data for this Ligand-Target Pair
Legumain (Mus musculus)	BDBM36333 (LI-0 | Legumain Inhibitor -0) Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@H](CCOC(=O)c1c(C)cccc1C)CC(O)=O |r| Show InChI InChI=1S/C21H28N2O6/c1-13-6-4-7-14(2)19(13)21(28)29-11-9-16(12-18(25)26)22-20(27)17-8-5-10-23(17)15(3)24/h4,6-7,16-17H,5,8-12H2,1-3H3,(H,22,27)(H,25,26)/t16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	704	n/a	n/a	n/a	n/a	5.8	25
Stanford University					Assay Description IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).				ACS Chem Biol 5: 233-43 (2010) Article DOI: 10.1021/cb900232a BindingDB Entry DOI: 10.7270/Q2Z31X0W
					More data for this Ligand-Target Pair
Legumain (Homo sapiens (Human))	BDBM228617 (US9345789, LI-0) Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(C)cccc1C |r| Show InChI InChI=1S/C21H26N2O7/c1-12-6-4-7-13(2)19(12)21(29)30-11-17(25)15(10-18(26)27)22-20(28)16-8-5-9-23(16)14(3)24/h4,6-7,15-16H,5,8-11H2,1-3H3,(H,22,28)(H,26,27)/t15-,16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	704	n/a	n/a	n/a	n/a	5.8	n/a
The Board of Trustees of the Leland Stanford Junior University US Patent					Assay Description Assay buffers consist of 20 mM citric acid, 60 mM disodium hydrogen orthophosphate, 1 mM EDTA, 0.1% CHAPS, 4 mM DTT, pH 5.8 for legumain, 50 mM dihyd...				US Patent US9345789 (2016) BindingDB Entry DOI: 10.7270/Q2610Z63
					More data for this Ligand-Target Pair
Cathepsin B (Mus musculus)	BDBM36334 (CID644294 | JPM 565 | JPM-OEt | US9345789, JPM-Oet) Show SMILES [H][C@](NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)(C(C)CC)C(=O)NCCc1ccc(O)cc1 Show InChI InChI=1S/C20H28N2O6/c1-4-12(3)15(22-19(25)16-17(28-16)20(26)27-5-2)18(24)21-11-10-13-6-8-14(23)9-7-13/h6-9,12,15-17,23H,4-5,10-11H2,1-3H3,(H,21,24)(H,22,25)/t12?,15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	6.25	25
Stanford University					Assay Description IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).				ACS Chem Biol 5: 233-43 (2010) Article DOI: 10.1021/cb900232a BindingDB Entry DOI: 10.7270/Q2Z31X0W
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM36334 (CID644294 | JPM 565 | JPM-OEt | US9345789, JPM-Oet) Show SMILES [H][C@](NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)(C(C)CC)C(=O)NCCc1ccc(O)cc1 Show InChI InChI=1S/C20H28N2O6/c1-4-12(3)15(22-19(25)16-17(28-16)20(26)27-5-2)18(24)21-11-10-13-6-8-14(23)9-7-13/h6-9,12,15-17,23H,4-5,10-11H2,1-3H3,(H,21,24)(H,22,25)/t12?,15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	780	n/a	n/a	n/a	n/a	5.8	n/a
The Board of Trustees of the Leland Stanford Junior University US Patent					Assay Description Assay buffers consist of 20 mM citric acid, 60 mM disodium hydrogen orthophosphate, 1 mM EDTA, 0.1% CHAPS, 4 mM DTT, pH 5.8 for legumain, 50 mM dihyd...				US Patent US9345789 (2016) BindingDB Entry DOI: 10.7270/Q2610Z63
					More data for this Ligand-Target Pair
Sentrin-specific protease 2 (Homo sapiens (Human))	BDBM81516 (VEA-500) Show SMILES C[C@H](O)C(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1ccc(O)c(c1)N(=O)=O)C(=O)NCC(=O)NCC(=O)COC(=O)c1c2ccccc2cc2ccccc12 |r| Show InChI InChI=1S/C42H46N8O14/c1-22(51)38(41(60)46-20-36(57)45-19-26(52)21-64-42(61)37-27-8-4-2-6-24(27)18-25-7-3-5-9-28(25)37)49-40(59)30(12-15-34(44)55)48-39(58)29(11-14-33(43)54)47-35(56)17-23-10-13-32(53)31(16-23)50(62)63/h2-10,13,16,18,22,29-30,38,51,53H,11-12,14-15,17,19-21H2,1H3,(H2,43,54)(H2,44,55)(H,45,57)(H,46,60)(H,47,56)(H,48,58)(H,49,59)/t22-,29-,30-,38?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	8.0	37
Stanford University					Assay Description The fluorogenic substrate library screen was performed with hSENP1 in low salt tris buffer at final concentration of 2uM. Fluorophore release (AFC) ...				Chem Biol 18: 722-32 (2011) Article DOI: 10.1016/j.chembiol.2011.05.008 BindingDB Entry DOI: 10.7270/Q2542M2N
					More data for this Ligand-Target Pair

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