Found 6 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 |
M-phase inducer phosphatase 2
(Homo sapiens (Human)) | BDBM50261252
(CHEMBL511236 | [((R)-4-Hexadecanoyl-3-hydroxy-5-ox...)Show SMILES CCCCCCCCCCCCCCCC(=O)C1C(=O)O[C@H](COC(=O)N=C=NC(=O)OCC)C1=O |r| Show InChI InChI=1S/C26H40N2O8/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(29)22-23(30)21(36-24(22)31)18-35-26(33)28-19-27-25(32)34-4-2/h21-22H,3-18H2,1-2H3/t21-,22?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bayreuth
Curated by ChEMBL
| Assay Description Inhibition of cdc25B |
Bioorg Med Chem 16: 4203-21 (2008)
Article DOI: 10.1016/j.bmc.2008.02.069 BindingDB Entry DOI: 10.7270/Q2C24W6P |
More data for this Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50111285
(8-(4-(4-hydroxy-2-oxo-1-p-tolyl-2,5-dihydro-1H-pyr...)Show SMILES Cc1ccc(cc1)N1CC(=O)C(C(=O)Nc2ccc(OCCCCCCCC(O)=O)cc2)C1=O Show InChI InChI=1S/C26H30N2O6/c1-18-8-12-20(13-9-18)28-17-22(29)24(26(28)33)25(32)27-19-10-14-21(15-11-19)34-16-6-4-2-3-5-7-23(30)31/h8-15,24H,2-7,16-17H2,1H3,(H,27,32)(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bayreuth
Curated by ChEMBL
| Assay Description Inhibition of PAI1 |
Bioorg Med Chem 16: 4203-21 (2008)
Article DOI: 10.1016/j.bmc.2008.02.069 BindingDB Entry DOI: 10.7270/Q2C24W6P |
More data for this Ligand-Target Pair | |
Polymerase acidic protein
(Hepatitis C virus) | BDBM50409801
(CHEMBL16525)Show SMILES OC(=O)c1cccc(NC(=O)Nc2ccc3c(C(=O)c4ccccc4)c(O)n(O)c3c2)c1 Show InChI InChI=1S/C23H17N3O6/c27-20(13-5-2-1-3-6-13)19-17-10-9-16(12-18(17)26(32)21(19)28)25-23(31)24-15-8-4-7-14(11-15)22(29)30/h1-12,28,32H,(H,29,30)(H2,24,25,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bayreuth
Curated by ChEMBL
| Assay Description Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP |
Bioorg Med Chem 16: 4203-21 (2008)
Article DOI: 10.1016/j.bmc.2008.02.069 BindingDB Entry DOI: 10.7270/Q2C24W6P |
More data for this Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50111274
(8-(4-(1-(4-chlorophenyl)-4-hydroxy-2-oxo-2,5-dihyd...)Show SMILES OC(=O)CCCCCCCOc1ccc(NC(=O)C2C(=O)CN(C2=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C25H27ClN2O6/c26-17-7-11-19(12-8-17)28-16-21(29)23(25(28)33)24(32)27-18-9-13-20(14-10-18)34-15-5-3-1-2-4-6-22(30)31/h7-14,23H,1-6,15-16H2,(H,27,32)(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bayreuth
Curated by ChEMBL
| Assay Description Inhibition of PAI1 |
Bioorg Med Chem 16: 4203-21 (2008)
Article DOI: 10.1016/j.bmc.2008.02.069 BindingDB Entry DOI: 10.7270/Q2C24W6P |
More data for this Ligand-Target Pair | |
Plasminogen activator inhibitor 1
(Homo sapiens (Human)) | BDBM50111302
(8-(4-{[1-(4-Chloro-phenyl)-4-hydroxy-2-oxo-2,5-dih...)Show SMILES COC(=O)CCCCCCCOc1ccc(NC(=O)C2C(=O)CN(C2=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN2O6/c1-34-23(31)7-5-3-2-4-6-16-35-21-14-10-19(11-15-21)28-25(32)24-22(30)17-29(26(24)33)20-12-8-18(27)9-13-20/h8-15,24H,2-7,16-17H2,1H3,(H,28,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bayreuth
Curated by ChEMBL
| Assay Description Inhibition of PAI1 |
Bioorg Med Chem 16: 4203-21 (2008)
Article DOI: 10.1016/j.bmc.2008.02.069 BindingDB Entry DOI: 10.7270/Q2C24W6P |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50261631
(3-(3-(trifluoromethyl)benzylthio)-5-sec-butyl-4-hy...)Show InChI InChI=1S/C16H18F3NO2S/c1-3-9(2)12-13(21)14(15(22)20-12)23-8-10-5-4-6-11(7-10)16(17,18)19/h4-7,9,12,14H,3,8H2,1-2H3,(H,20,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bayreuth
Curated by ChEMBL
| Assay Description Inhibition of BACE1 by FRET assay |
Bioorg Med Chem 16: 4203-21 (2008)
Article DOI: 10.1016/j.bmc.2008.02.069 BindingDB Entry DOI: 10.7270/Q2C24W6P |
More data for this Ligand-Target Pair | |