Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'maeda' and Initial = 'a'   

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 activator inhibitor 1 (Homo sapiens (Human))	BDBM50454579 (CHEMBL4215648) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)-c1cccc2ccccc12 Show InChI InChI=1S/C24H16ClNO3/c25-18-11-12-22(21(14-18)24(28)29)26-23(27)17-8-3-7-16(13-17)20-10-4-6-15-5-1-2-9-19(15)20/h1-14H,(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454590 (CHEMBL4207363) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:22:23:21.20.26:27,26:21:28:25.24.27,26:25:28:22.21.20,THB:22:21:28.23.24:27| Show InChI InChI=1S/C24H24ClNO3/c25-19-5-6-21(20(10-19)23(28)29)26-22(27)17-1-3-18(4-2-17)24-11-14-7-15(12-24)9-16(8-14)13-24/h1-6,10,14-16H,7-9,11-13H2,(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454578 (CHEMBL4203014) Show SMILES [Na;v0+].[#8-]-[#6](=O)-c1cc(Cl)ccc1-[#7]-[#6](=O)-c1cccc(c1)-c1cnc2ccccc2c1 Show InChI InChI=1S/C23H15ClN2O3/c24-18-8-9-21(19(12-18)23(28)29)26-22(27)16-6-3-5-14(10-16)17-11-15-4-1-2-7-20(15)25-13-17/h1-13H,(H,26,27)(H,28,29)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454591 (CHEMBL4205662) Show SMILES [Na;v0+].[#8-]-[#6](=O)-c1cc(Cl)ccc1-[#7]-[#6](=O)-c1cccc(c1)-c1cccc2cnccc12 Show InChI InChI=1S/C23H15ClN2O3/c24-17-7-8-21(20(12-17)23(28)29)26-22(27)15-4-1-3-14(11-15)18-6-2-5-16-13-25-10-9-19(16)18/h1-13H,(H,26,27)(H,28,29)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454576 (CHEMBL4202481) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)C12CC3CC(CC(C3)C1)C2 |TLB:26:21:28:25.27.24,26:25:28:22.21.20,THB:24:23:20:26.25.27,24:25:28.23.22:20| Show InChI InChI=1S/C24H24ClNO3/c25-19-4-5-21(20(10-19)23(28)29)26-22(27)17-2-1-3-18(9-17)24-11-14-6-15(12-24)8-16(7-14)13-24/h1-5,9-10,14-16H,6-8,11-13H2,(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454572 (CHEMBL4218927) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)C1=CCCCC1 |t:21| Show InChI InChI=1S/C20H18ClNO3/c21-16-9-10-18(17(12-16)20(24)25)22-19(23)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h4-5,7-12H,1-3,6H2,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454589 (CHEMBL4218412) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C20H20ClNO3/c21-16-10-11-18(17(12-16)20(24)25)22-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454593 (CHEMBL4214007) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)C1CCCCC1 Show InChI InChI=1S/C20H20ClNO3/c21-16-9-10-18(17(12-16)20(24)25)22-19(23)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h4,7-13H,1-3,5-6H2,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454569 (CHEMBL4216922) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H14ClNO3/c21-16-9-10-18(17(12-16)20(24)25)22-19(23)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454587 (CHEMBL2440274) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H14ClNO3/c21-16-10-11-18(17(12-16)20(24)25)22-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454566 (CHEMBL4203968) Show SMILES [Na;v0+].[#8-]-[#6](=O)-c1cc(Cl)ccc1-[#7]-[#6](=O)-c1cccc(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C23H15ClN2O3/c24-17-8-9-21(19(11-17)23(28)29)26-22(27)15-6-3-5-14(10-15)20-13-25-12-16-4-1-2-7-18(16)20/h1-13H,(H,26,27)(H,28,29)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454581 (CHEMBL4205472) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)C(=O)NCc1cccc(c1)-c1ccoc1 Show InChI InChI=1S/C20H15ClN2O5/c21-15-4-5-17(16(9-15)20(26)27)23-19(25)18(24)22-10-12-2-1-3-13(8-12)14-6-7-28-11-14/h1-9,11H,10H2,(H,22,24)(H,23,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 9.8 nM human tPA...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454594 (CHEMBL4210355) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)C(=O)Nc1cccc(c1)-c1ccoc1 Show InChI InChI=1S/C19H13ClN2O5/c20-13-4-5-16(15(9-13)19(25)26)22-18(24)17(23)21-14-3-1-2-11(8-14)12-6-7-27-10-12/h1-10H,(H,21,23)(H,22,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 9.8 nM human tPA...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454586 (CHEMBL4206843) Show SMILES [Na;v0+].[#8-]-[#6](=O)-c1cc(Cl)ccc1-[#7]-[#6](=O)-c1cccc(c1)-c1cccc2cccnc12 Show InChI InChI=1S/C23H15ClN2O3/c24-17-9-10-20(19(13-17)23(28)29)26-22(27)16-6-1-5-15(12-16)18-8-2-4-14-7-3-11-25-21(14)18/h1-13H,(H,26,27)(H,28,29)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454585 (CHEMBL4206161) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H14ClNO4/c22-16-10-11-18(17(12-16)21(26)27)23-20(25)15-8-6-14(7-9-15)19(24)13-4-2-1-3-5-13/h1-12H,(H,23,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454583 (CHEMBL4205996) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)COc1cccc(c1)-c1ccoc1 Show InChI InChI=1S/C19H14ClNO5/c20-14-4-5-17(16(9-14)19(23)24)21-18(22)11-26-15-3-1-2-12(8-15)13-6-7-25-10-13/h1-10H,11H2,(H,21,22)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 9.8 nM human tPA...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454571 (CHEMBL4214513) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(O)=O Show InChI InChI=1S/C18H18ClNO3/c1-18(2,3)12-6-4-11(5-7-12)16(21)20-15-9-8-13(19)10-14(15)17(22)23/h4-10H,1-3H3,(H,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454588 (CHEMBL4209604) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C20H14ClNO4/c21-14-8-11-18(17(12-14)20(24)25)22-19(23)13-6-9-16(10-7-13)26-15-4-2-1-3-5-15/h1-12H,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454574 (CHEMBL4211050) Show SMILES Cl.OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(cc1)-n1cccc1 Show InChI InChI=1S/C18H13ClN2O3/c19-13-5-8-16(15(11-13)18(23)24)20-17(22)12-3-6-14(7-4-12)21-9-1-2-10-21/h1-11H,(H,20,22)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454584 (CHEMBL4218241) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)-c1ccoc1 Show InChI InChI=1S/C18H12ClNO4/c19-14-4-5-16(15(9-14)18(22)23)20-17(21)12-3-1-2-11(8-12)13-6-7-24-10-13/h1-10H,(H,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 9.8 nM human tPA...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454582 (CHEMBL4206636) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)COCC(=O)NCc1cccc(c1)-c1ccoc1 Show InChI InChI=1S/C22H19ClN2O6/c23-17-4-5-19(18(9-17)22(28)29)25-21(27)13-31-12-20(26)24-10-14-2-1-3-15(8-14)16-6-7-30-11-16/h1-9,11H,10,12-13H2,(H,24,26)(H,25,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 9.8 nM human tPA...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454575 (CHEMBL4208644) Show SMILES Cl.OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C18H17ClN2O3/c19-13-5-8-16(15(11-13)18(23)24)20-17(22)12-3-6-14(7-4-12)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454580 (CHEMBL4216092) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)COCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H28ClN3O5/c29-22-11-12-24(23(17-22)28(35)36)30-25(33)18-37-19-26(34)31-13-15-32(16-14-31)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17,27H,13-16,18-19H2,(H,30,33)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 9.8 nM human tPA...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454592 (CHEMBL4210774) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(O)=O Show InChI InChI=1S/C17H16ClNO4/c1-10(2)23-13-6-3-11(4-7-13)16(20)19-15-8-5-12(18)9-14(15)17(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454570 (CHEMBL4213580) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C18H12ClNO3S/c19-13-7-8-15(14(10-13)18(22)23)20-17(21)12-5-3-11(4-6-12)16-2-1-9-24-16/h1-10H,(H,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454573 (CHEMBL4206674) Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(cc1)C1CCOCC1 Show InChI InChI=1S/C19H18ClNO4/c20-15-5-6-17(16(11-15)19(23)24)21-18(22)14-3-1-12(2-4-14)13-7-9-25-10-8-13/h1-6,11,13H,7-10H2,(H,21,22)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor 1 (Homo sapiens (Human))	BDBM50454577 (CHEMBL4211726) Show SMILES [Na;v0+].[#8-]-[#6](=O)-c1cc(Cl)ccc1-[#7]-[#6](=O)-c1cccc(c1)-c1ccncc1 Show InChI InChI=1S/C19H13ClN2O3/c20-15-4-5-17(16(11-15)19(24)25)22-18(23)14-3-1-2-13(10-14)12-6-8-21-9-7-12/h1-11H,(H,22,23)(H,24,25)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hamari Chemicals, Ltd. Curated by ChEMBL					Assay Description Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme...				Bioorg Med Chem Lett 28: 809-813 (2018) Article DOI: 10.1016/j.bmcl.2017.11.016 BindingDB Entry DOI: 10.7270/Q2TH8Q90
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50041457 (4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...) Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O Show InChI InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay				Antimicrob Agents Chemother 51: 350-3 (2006) Article DOI: 10.1128/AAC.00985-06 BindingDB Entry DOI: 10.7270/Q2C82BJV
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay				Antimicrob Agents Chemother 51: 350-3 (2006) Article DOI: 10.1128/AAC.00985-06 BindingDB Entry DOI: 10.7270/Q2C82BJV
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50015214 (6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...) Show SMILES CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 Show InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.92E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay				Antimicrob Agents Chemother 51: 350-3 (2006) Article DOI: 10.1128/AAC.00985-06 BindingDB Entry DOI: 10.7270/Q2C82BJV
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50022889 ((2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-...) Show SMILES OC(C1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay				Antimicrob Agents Chemother 51: 350-3 (2006) Article DOI: 10.1128/AAC.00985-06 BindingDB Entry DOI: 10.7270/Q2C82BJV
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay				Antimicrob Agents Chemother 51: 350-3 (2006) Article DOI: 10.1128/AAC.00985-06 BindingDB Entry DOI: 10.7270/Q2C82BJV
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50411276 (QUININE SULFATE) Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3CC4CCN3C[C@@H]4C=C)c2c1 |r,TLB:20:19:12.13:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19-,20+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.65E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay				Antimicrob Agents Chemother 51: 350-3 (2006) Article DOI: 10.1128/AAC.00985-06 BindingDB Entry DOI: 10.7270/Q2C82BJV
					More data for this Ligand-Target Pair