Found 17 hits of Enzyme Inhibition Constant Data 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)) | BDBM50116764
(3-[1-Pyridin-2-yl-meth-(Z)-ylidene]-6-[1-[4-(3-pyr...)Show SMILES O=c1[nH]\c(=C/c2ccccn2)c(=O)[nH]\c1=C/c1ccc(OCCCc2cccnc2)cc1 Show InChI InChI=1S/C25H22N4O3/c30-24-22(28-25(31)23(29-24)16-20-7-1-2-13-27-20)15-18-8-10-21(11-9-18)32-14-4-6-19-5-3-12-26-17-19/h1-3,5,7-13,15-17H,4,6,14H2,(H,28,31)(H,29,30)/b22-15-,23-16- | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116760
(3-[1-[4-(3-Pyridin-3-yl-propoxy)-phenyl]-meth-(Z)-...)Show SMILES O=c1[nH]\c(=C/c2ccc(OCCCc3cccnc3)cc2)c(=O)[nH]\c1=C/c1nccs1 Show InChI InChI=1S/C23H20N4O3S/c28-22-19(26-23(29)20(27-22)14-21-25-10-12-31-21)13-16-5-7-18(8-6-16)30-11-2-4-17-3-1-9-24-15-17/h1,3,5-10,12-15H,2,4,11H2,(H,26,29)(H,27,28)/b19-13-,20-14- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116752
(3-[1-Phenyl-meth-(Z)-ylidene]-6-[1-[4-(3-pyridin-3...)Show SMILES O=c1[nH]\c(=C/c2ccc(OCCCc3cccnc3)cc2)c(=O)[nH]\c1=C/c1ccccc1 Show InChI InChI=1S/C26H23N3O3/c30-25-23(16-19-6-2-1-3-7-19)28-26(31)24(29-25)17-20-10-12-22(13-11-20)32-15-5-9-21-8-4-14-27-18-21/h1-4,6-8,10-14,16-18H,5,9,15H2,(H,28,31)(H,29,30)/b23-16-,24-17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116759
(4-Hydroxy-1-oxo-1,2-dihydro-isoquinoline-3-carboxy...)Show SMILES Oc1c([nH]c(=O)c2ccccc12)C(=O)Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C23H15F3N2O5/c24-23(25,26)33-16-11-9-15(10-12-16)32-14-7-5-13(6-8-14)27-22(31)19-20(29)17-3-1-2-4-18(17)21(30)28-19/h1-12,29H,(H,27,31)(H,28,30) | 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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116757
(CHEMBL74798 | Furan-2-carboxylic acid {4-[1,4-diox...)Show SMILES O=C(Nc1ccc(\C=C2/NC(=O)c3ccccc3C2=O)cc1)c1ccco1 Show InChI InChI=1S/C21H14N2O4/c24-19-15-4-1-2-5-16(15)20(25)23-17(19)12-13-7-9-14(10-8-13)22-21(26)18-6-3-11-27-18/h1-12H,(H,22,26)(H,23,25)/b17-12- | 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 | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116750
(CHEMBL306589 | Thiophene-2-carboxylic acid {4-[1,4...)Show SMILES O=C(Nc1ccc(\C=C2/NC(=O)c3ccccc3C2=O)cc1)c1cccs1 Show InChI InChI=1S/C21H14N2O3S/c24-19-15-4-1-2-5-16(15)20(25)23-17(19)12-13-7-9-14(10-8-13)22-21(26)18-6-3-11-27-18/h1-12H,(H,22,26)(H,23,25)/b17-12- | 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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116755
(CHEMBL421503 | N-{4-[1,4-Dioxo-1,4-dihydro-2H-isoq...)Show SMILES O=C(Nc1ccc(\C=C2/NC(=O)c3ccccc3C2=O)cc1)c1ccccc1 Show InChI InChI=1S/C23H16N2O3/c26-21-18-8-4-5-9-19(18)23(28)25-20(21)14-15-10-12-17(13-11-15)24-22(27)16-6-2-1-3-7-16/h1-14H,(H,24,27)(H,25,28)/b20-14- | 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 | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116751
(4-Hydroxy-3-(3-methoxy-phenyl)-2H-isoquinolin-1-on...)Show InChI InChI=1S/C16H13NO3/c1-20-11-6-4-5-10(9-11)14-15(18)12-7-2-3-8-13(12)16(19)17-14/h2-9,18H,1H3,(H,17,19) | 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 | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116753
(1-Methyl-6-[1-phenyl-meth-(Z)-ylidene]-3-[1-[4-(3-...)Show SMILES Cn1c(=O)\c(=C\c2ccc(OCCCc3cccnc3)cc2)[nH]c(=O)\c1=C\c1ccccc1 Show InChI InChI=1S/C27H25N3O3/c1-30-25(18-20-7-3-2-4-8-20)26(31)29-24(27(30)32)17-21-11-13-23(14-12-21)33-16-6-10-22-9-5-15-28-19-22/h2-5,7-9,11-15,17-19H,6,10,16H2,1H3,(H,29,31)/b24-17-,25-18- | 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 | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116748
(4-Hydroxy-1-oxo-1,2-dihydro-isoquinoline-3-carboxy...)Show SMILES Oc1c([nH]c(=O)c2ccccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H10F6N2O3/c19-17(20,21)8-5-9(18(22,23)24)7-10(6-8)25-16(29)13-14(27)11-3-1-2-4-12(11)15(28)26-13/h1-7,27H,(H,25,29)(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116763
(4-Hydroxy-1-oxo-1,2-dihydro-isoquinoline-3-carboxy...)Show SMILES Oc1c([nH]c(=O)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H10Cl2N2O3/c17-11-6-5-8(7-12(11)18)19-16(23)13-14(21)9-3-1-2-4-10(9)15(22)20-13/h1-7,21H,(H,19,23)(H,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116761
(3-[1-[4-(3-Pyridin-3-yl-propoxy)-phenyl]-meth-(Z)-...)Show SMILES O=C1N\C(=C/c2ccc(OCCCc3cccnc3)cc2)C(=O)c2ccccc12 Show InChI InChI=1S/C24H20N2O3/c27-23-20-7-1-2-8-21(20)24(28)26-22(23)15-17-9-11-19(12-10-17)29-14-4-6-18-5-3-13-25-16-18/h1-3,5,7-13,15-16H,4,6,14H2,(H,26,28)/b22-15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116762
(3-(4-Chloro-phenyl)-4-hydroxy-2H-isoquinolin-1-one...)Show InChI InChI=1S/C15H10ClNO2/c16-10-7-5-9(6-8-10)13-14(18)11-3-1-2-4-12(11)15(19)17-13/h1-8,18H,(H,17,19) | 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 | 2.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116754
(4-Hydroxy-1-oxo-1,2-dihydro-isoquinoline-3-carboxy...)Show InChI InChI=1S/C16H11ClN2O3/c17-9-5-7-10(8-6-9)18-16(22)13-14(20)11-3-1-2-4-12(11)15(21)19-13/h1-8,20H,(H,18,22)(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116758
(3-(4-Fluoro-phenyl)-4-hydroxy-2H-isoquinolin-1-one...)Show InChI InChI=1S/C15H10FNO2/c16-10-7-5-9(6-8-10)13-14(18)11-3-1-2-4-12(11)15(19)17-13/h1-8,18H,(H,17,19) | 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 | 3.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116756
(3-[1-Phenyl-meth-(Z)-ylidene]-6-[1-[5-(3-pyridin-3...)Show SMILES O=c1[nH]\c(=C/c2ccc(OCCCc3cccnc3)cn2)c(=O)[nH]\c1=C/c1ccccc1 Show InChI InChI=1S/C25H22N4O3/c30-24-22(14-18-6-2-1-3-7-18)28-25(31)23(29-24)15-20-10-11-21(17-27-20)32-13-5-9-19-8-4-12-26-16-19/h1-4,6-8,10-12,14-17H,5,9,13H2,(H,28,31)(H,29,30)/b22-14-,23-15- | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50116749
(4-Hydroxy-3-phenyl-2H-isoquinolin-1-one | CHEMBL76...)Show InChI InChI=1S/C15H11NO2/c17-14-11-8-4-5-9-12(11)15(18)16-13(14)10-6-2-1-3-7-10/h1-9,17H,(H,16,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd.
Curated by ChEMBL
| Assay Description
Inhibitory concentration required against Plasminogen activator inhibitor 1. |
Bioorg Med Chem Lett 12: 2367-70 (2002)
BindingDB Entry DOI: 10.7270/Q2319V6B |
More data for this
Ligand-Target Pair | |
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