Found 9 hits for monomerid = 50444728 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Antrax lethal toxin
(Bacillus anthracis) | BDBM50444728
(CHEMBL3098990)Show InChI InChI=1S/C20H21N3O2/c1-13-11-17(21)16-12-15(8-9-18(16)22-13)23-20(24)10-7-14-5-3-4-6-19(14)25-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H2,21,22)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 478 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Non-competitive inhibition of Bacillus anthracis lethal factor using 3.12 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee pl... |
Bioorg Med Chem 22: 419-34 (2013)
Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9 |
More data for this Ligand-Target Pair | |
Antrax lethal toxin
(Bacillus anthracis) | BDBM50444728
(CHEMBL3098990)Show InChI InChI=1S/C20H21N3O2/c1-13-11-17(21)16-12-15(8-9-18(16)22-13)23-20(24)10-7-14-5-3-4-6-19(14)25-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H2,21,22)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Non-competitive inhibition of Bacillus anthracis lethal factor assessed as MCA-KKVYPYPME[dnp]K amide cleavage after 30 mins by Eadie-Hofstee plot ana... |
Bioorg Med Chem 22: 419-34 (2013)
Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9 |
More data for this Ligand-Target Pair | |
Antrax lethal toxin
(Bacillus anthracis) | BDBM50444728
(CHEMBL3098990)Show InChI InChI=1S/C20H21N3O2/c1-13-11-17(21)16-12-15(8-9-18(16)22-13)23-20(24)10-7-14-5-3-4-6-19(14)25-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H2,21,22)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Non-competitive inhibition of Bacillus anthracis lethal factor using 50 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee plot... |
Bioorg Med Chem 22: 419-34 (2013)
Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9 |
More data for this Ligand-Target Pair | |
Antrax lethal toxin
(Bacillus anthracis) | BDBM50444728
(CHEMBL3098990)Show InChI InChI=1S/C20H21N3O2/c1-13-11-17(21)16-12-15(8-9-18(16)22-13)23-20(24)10-7-14-5-3-4-6-19(14)25-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H2,21,22)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 841 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Non-competitive inhibition of Bacillus anthracis lethal factor using 12.5 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee pl... |
Bioorg Med Chem 22: 419-34 (2013)
Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9 |
More data for this Ligand-Target Pair | |
Antrax lethal toxin
(Bacillus anthracis) | BDBM50444728
(CHEMBL3098990)Show InChI InChI=1S/C20H21N3O2/c1-13-11-17(21)16-12-15(8-9-18(16)22-13)23-20(24)10-7-14-5-3-4-6-19(14)25-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H2,21,22)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 729 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Non-competitive inhibition of Bacillus anthracis lethal factor using 6.25 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee pl... |
Bioorg Med Chem 22: 419-34 (2013)
Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9 |
More data for this Ligand-Target Pair | |
Antrax lethal toxin
(Bacillus anthracis) | BDBM50444728
(CHEMBL3098990)Show InChI InChI=1S/C20H21N3O2/c1-13-11-17(21)16-12-15(8-9-18(16)22-13)23-20(24)10-7-14-5-3-4-6-19(14)25-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H2,21,22)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank 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 |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis lethal factor assessed as MCA-KKVYPYPME[dnp]K amide cleavage after 30 mins by fluorescence plate reader analysis |
Bioorg Med Chem 22: 419-34 (2013)
Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9 |
More data for this Ligand-Target Pair | |
Antrax lethal toxin
(Bacillus anthracis) | BDBM50444728
(CHEMBL3098990)Show InChI InChI=1S/C20H21N3O2/c1-13-11-17(21)16-12-15(8-9-18(16)22-13)23-20(24)10-7-14-5-3-4-6-19(14)25-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H2,21,22)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Non-competitive inhibition of Bacillus anthracis lethal factor using 100 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee plo... |
Bioorg Med Chem 22: 419-34 (2013)
Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9 |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50444728
(CHEMBL3098990)Show InChI InChI=1S/C20H21N3O2/c1-13-11-17(21)16-12-15(8-9-18(16)22-13)23-20(24)10-7-14-5-3-4-6-19(14)25-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H2,21,22)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Clostridium bolulinum BoNT/A assessed as cleavage of MOCAc-Lys-Lys-Val-Tyr-Pro-Tyr-Pro-Met-Glu-Lys(Dnp)-NH2 after 40 mins by FRET assay |
Bioorg Med Chem 22: 419-34 (2013)
Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9 |
More data for this Ligand-Target Pair | |
Antrax lethal toxin
(Bacillus anthracis) | BDBM50444728
(CHEMBL3098990)Show InChI InChI=1S/C20H21N3O2/c1-13-11-17(21)16-12-15(8-9-18(16)22-13)23-20(24)10-7-14-5-3-4-6-19(14)25-2/h3-6,8-9,11-12H,7,10H2,1-2H3,(H2,21,22)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 952 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Non-competitive inhibition of Bacillus anthracis lethal factor using 25 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee plot... |
Bioorg Med Chem 22: 419-34 (2013)
Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9 |
More data for this Ligand-Target Pair | |