Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'abato' and Initial = 'p'   

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
Plasminogen (Homo sapiens (Human))	BDBM50081422 (2-((R)-3-{(R)-3-[(S)-2-((S)-Benzyloxycarbonylamino...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C39H41N5O7/c45-35(42-34(38(48)49)20-27-22-41-31-15-7-5-13-29(27)31)18-17-25-11-8-16-32(36(25)46)43-37(47)33(19-26-21-40-30-14-6-4-12-28(26)30)44-39(50)51-23-24-9-2-1-3-10-24/h1-7,9-10,12-15,21-22,25,32-34,40-41H,8,11,16-20,23H2,(H,42,45)(H,43,47)(H,44,50)(H,48,49)/t25-,32-,33+,34+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against plasmin				J Med Chem 42: 4001-9 (1999) BindingDB Entry DOI: 10.7270/Q2NP23MG
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50081422 (2-((R)-3-{(R)-3-[(S)-2-((S)-Benzyloxycarbonylamino...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C39H41N5O7/c45-35(42-34(38(48)49)20-27-22-41-31-15-7-5-13-29(27)31)18-17-25-11-8-16-32(36(25)46)43-37(47)33(19-26-21-40-30-14-6-4-12-28(26)30)44-39(50)51-23-24-9-2-1-3-10-24/h1-7,9-10,12-15,21-22,25,32-34,40-41H,8,11,16-20,23H2,(H,42,45)(H,43,47)(H,44,50)(H,48,49)/t25-,32-,33+,34+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against plasmin				J Med Chem 42: 4001-9 (1999) BindingDB Entry DOI: 10.7270/Q2NP23MG
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50081425 (2-((R)-3-{(R)-3-[(S)-2-Benzyloxycarbonylamino-3-(1...) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C37H40N4O7/c42-33(39-32(36(45)46)20-24-10-3-1-4-11-24)19-18-26-14-9-17-30(34(26)43)40-35(44)31(21-27-22-38-29-16-8-7-15-28(27)29)41-37(47)48-23-25-12-5-2-6-13-25/h1-8,10-13,15-16,22,26,30-32,38H,9,14,17-21,23H2,(H,39,42)(H,40,44)(H,41,47)(H,45,46)/t26-,30-,31+,32+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Brown University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against plasmin				J Med Chem 42: 4001-9 (1999) BindingDB Entry DOI: 10.7270/Q2NP23MG
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50081425 (2-((R)-3-{(R)-3-[(S)-2-Benzyloxycarbonylamino-3-(1...) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C37H40N4O7/c42-33(39-32(36(45)46)20-24-10-3-1-4-11-24)19-18-26-14-9-17-30(34(26)43)40-35(44)31(21-27-22-38-29-16-8-7-15-28(27)29)41-37(47)48-23-25-12-5-2-6-13-25/h1-8,10-13,15-16,22,26,30-32,38H,9,14,17-21,23H2,(H,39,42)(H,40,44)(H,41,47)(H,45,46)/t26-,30-,31+,32+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Brown University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against plasmin				J Med Chem 42: 4001-9 (1999) BindingDB Entry DOI: 10.7270/Q2NP23MG
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50081425 (2-((R)-3-{(R)-3-[(S)-2-Benzyloxycarbonylamino-3-(1...) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C37H40N4O7/c42-33(39-32(36(45)46)20-24-10-3-1-4-11-24)19-18-26-14-9-17-30(34(26)43)40-35(44)31(21-27-22-38-29-16-8-7-15-28(27)29)41-37(47)48-23-25-12-5-2-6-13-25/h1-8,10-13,15-16,22,26,30-32,38H,9,14,17-21,23H2,(H,39,42)(H,40,44)(H,41,47)(H,45,46)/t26-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against papain				J Med Chem 42: 4001-9 (1999) BindingDB Entry DOI: 10.7270/Q2NP23MG
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50081422 (2-((R)-3-{(R)-3-[(S)-2-((S)-Benzyloxycarbonylamino...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C39H41N5O7/c45-35(42-34(38(48)49)20-27-22-41-31-15-7-5-13-29(27)31)18-17-25-11-8-16-32(36(25)46)43-37(47)33(19-26-21-40-30-14-6-4-12-28(26)30)44-39(50)51-23-24-9-2-1-3-10-24/h1-7,9-10,12-15,21-22,25,32-34,40-41H,8,11,16-20,23H2,(H,42,45)(H,43,47)(H,44,50)(H,48,49)/t25-,32-,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against papain				J Med Chem 42: 4001-9 (1999) BindingDB Entry DOI: 10.7270/Q2NP23MG
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50081424 (2-((R)-3-{(R)-3-[(S)-2-((S)-Benzyloxycarbonylamino...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C37H40N4O7/c42-33(39-32(36(45)46)21-27-22-38-29-16-8-7-15-28(27)29)19-18-26-14-9-17-30(34(26)43)40-35(44)31(20-24-10-3-1-4-11-24)41-37(47)48-23-25-12-5-2-6-13-25/h1-8,10-13,15-16,22,26,30-32,38H,9,14,17-21,23H2,(H,39,42)(H,40,44)(H,41,47)(H,45,46)/t26-,30-,31+,32+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against plasmin				J Med Chem 42: 4001-9 (1999) BindingDB Entry DOI: 10.7270/Q2NP23MG
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50081424 (2-((R)-3-{(R)-3-[(S)-2-((S)-Benzyloxycarbonylamino...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C37H40N4O7/c42-33(39-32(36(45)46)21-27-22-38-29-16-8-7-15-28(27)29)19-18-26-14-9-17-30(34(26)43)40-35(44)31(20-24-10-3-1-4-11-24)41-37(47)48-23-25-12-5-2-6-13-25/h1-8,10-13,15-16,22,26,30-32,38H,9,14,17-21,23H2,(H,39,42)(H,40,44)(H,41,47)(H,45,46)/t26-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against papain				J Med Chem 42: 4001-9 (1999) BindingDB Entry DOI: 10.7270/Q2NP23MG
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50081423 (2-{(R)-3-[(R)-3-((S)-2-Benzyloxycarbonylamino-3-ph...) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C35H39N3O7/c39-31(36-30(34(42)43)22-25-13-6-2-7-14-25)20-19-27-17-10-18-28(32(27)40)37-33(41)29(21-24-11-4-1-5-12-24)38-35(44)45-23-26-15-8-3-9-16-26/h1-9,11-16,27-30H,10,17-23H2,(H,36,39)(H,37,41)(H,38,44)(H,42,43)/t27-,28-,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against papain				J Med Chem 42: 4001-9 (1999) BindingDB Entry DOI: 10.7270/Q2NP23MG
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50081423 (2-{(R)-3-[(R)-3-((S)-2-Benzyloxycarbonylamino-3-ph...) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C35H39N3O7/c39-31(36-30(34(42)43)22-25-13-6-2-7-14-25)20-19-27-17-10-18-28(32(27)40)37-33(41)29(21-24-11-4-1-5-12-24)38-35(44)45-23-26-15-8-3-9-16-26/h1-9,11-16,27-30H,10,17-23H2,(H,36,39)(H,37,41)(H,38,44)(H,42,43)/t27-,28-,29+,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Cathepsin B				J Med Chem 42: 4001-9 (1999) BindingDB Entry DOI: 10.7270/Q2NP23MG
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50081423 (2-{(R)-3-[(R)-3-((S)-2-Benzyloxycarbonylamino-3-ph...) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C35H39N3O7/c39-31(36-30(34(42)43)22-25-13-6-2-7-14-25)20-19-27-17-10-18-28(32(27)40)37-33(41)29(21-24-11-4-1-5-12-24)38-35(44)45-23-26-15-8-3-9-16-26/h1-9,11-16,27-30H,10,17-23H2,(H,36,39)(H,37,41)(H,38,44)(H,42,43)/t27-,28-,29+,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against plasmin				J Med Chem 42: 4001-9 (1999) BindingDB Entry DOI: 10.7270/Q2NP23MG
					More data for this Ligand-Target Pair