Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50020637 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 |
|---|
Lethal factor
(Bacillus anthracis) | BDBM50215900
(CHEMBL251733 | N-(3,4,5-trihydroxyphenethyl)oleami...)Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C26H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)27-19-18-22-20-23(28)26(31)24(29)21-22/h9-10,20-21,28-29,31H,2-8,11-19H2,1H3,(H,27,30)/b10-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of anthrax lethal factor by FRET assay |
Bioorg Med Chem Lett 17: 4575-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3 |
More data for this
Ligand-Target Pair | |
Lethal factor
(Bacillus anthracis) | BDBM50215899
(CHEMBL250711 | N-oleoyl-dopamine | Oleoyl dopamine...)Show InChI InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of anthrax lethal factor by FRET assay |
Bioorg Med Chem Lett 17: 4575-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3 |
More data for this
Ligand-Target Pair | |
Lethal factor
(Bacillus anthracis) | BDBM50215901
(CHEMBL251734 | N-hydroxy-4-(2-oleamidoethyl)benzam...)Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C27H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-23-22-24-18-20-25(21-19-24)27(31)29-32/h9-10,18-21,32H,2-8,11-17,22-23H2,1H3,(H,28,30)(H,29,31)/b10-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of anthrax lethal factor by FRET assay |
Bioorg Med Chem Lett 17: 4575-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3 |
More data for this
Ligand-Target Pair | |
Lethal factor
(Bacillus anthracis) | BDBM50215900
(CHEMBL251733 | N-(3,4,5-trihydroxyphenethyl)oleami...)Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C26H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)27-19-18-22-20-23(28)26(31)24(29)21-22/h9-10,20-21,28-29,31H,2-8,11-19H2,1H3,(H,27,30)/b10-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of anthrax lethal factor by FRET assay |
Bioorg Med Chem Lett 17: 4575-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3 |
More data for this
Ligand-Target Pair | |
Lethal factor
(Bacillus anthracis) | BDBM50215899
(CHEMBL250711 | N-oleoyl-dopamine | Oleoyl dopamine...)Show InChI InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of anthrax lethal factor by FRET assay |
Bioorg Med Chem Lett 17: 4575-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3 |
More data for this
Ligand-Target Pair | |
Lethal factor
(Bacillus anthracis) | BDBM50215901
(CHEMBL251734 | N-hydroxy-4-(2-oleamidoethyl)benzam...)Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C27H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-23-22-24-18-20-25(21-19-24)27(31)29-32/h9-10,18-21,32H,2-8,11-17,22-23H2,1H3,(H,28,30)(H,29,31)/b10-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of anthrax lethal factor by FRET assay |
Bioorg Med Chem Lett 17: 4575-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3 |
More data for this
Ligand-Target Pair | |
Lethal factor
(Bacillus anthracis) | BDBM50215902
(CHEMBL399925 | N-(2,4,5-trihydroxyphenethyl)oleami...)Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1cc(O)c(O)cc1O Show InChI InChI=1S/C26H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(31)27-19-18-22-20-24(29)25(30)21-23(22)28/h9-10,20-21,28-30H,2-8,11-19H2,1H3,(H,27,31)/b10-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of anthrax lethal factor by FRET assay |
Bioorg Med Chem Lett 17: 4575-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.089
BindingDB Entry DOI: 10.7270/Q2W958X3 |
More data for this
Ligand-Target Pair | |
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