Found 15 hits in this display 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 |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50360392
(CHEMBL1933865)Show InChI InChI=1S/C17H12IN3O/c1-22-16-7-6-11(9-13(16)18)8-12(10-19)17-20-14-4-2-3-5-15(14)21-17/h2-9H,1H3,(H,20,21)/b12-8+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Clostridium botulinum BoNT/A light chain-mediated SNAP-25 substrate cleavage after 40 mins by FRET assay |
Bioorg Med Chem 19: 7338-48 (2011)
Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3 |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50360392
(CHEMBL1933865)Show InChI InChI=1S/C17H12IN3O/c1-22-16-7-6-11(9-13(16)18)8-12(10-19)17-20-14-4-2-3-5-15(14)21-17/h2-9H,1H3,(H,20,21)/b12-8+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Clostridium botulinum BoNT/A light chain after 40 mins by HPLC assay |
Bioorg Med Chem 19: 7338-48 (2011)
Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3 |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50360393
(CHEMBL1933882)Show SMILES N#C\C(=C/c1ccc(s1)-c1cccs1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H11N3S2/c19-11-12(18-20-14-4-1-2-5-15(14)21-18)10-13-7-8-17(23-13)16-6-3-9-22-16/h1-10H,(H,20,21)/b12-10+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Clostridium botulinum BoNT/A light chain-mediated SNAP-25 substrate cleavage preincubated for 90 mins by FRET assay |
Bioorg Med Chem 19: 7338-48 (2011)
Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3 |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50360393
(CHEMBL1933882)Show SMILES N#C\C(=C/c1ccc(s1)-c1cccs1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H11N3S2/c19-11-12(18-20-14-4-1-2-5-15(14)21-18)10-13-7-8-17(23-13)16-6-3-9-22-16/h1-10H,(H,20,21)/b12-10+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Clostridium botulinum BoNT/A light chain-mediated SNAP-25 substrate cleavage after 40 mins by FRET assay |
Bioorg Med Chem 19: 7338-48 (2011)
Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3 |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50360393
(CHEMBL1933882)Show SMILES N#C\C(=C/c1ccc(s1)-c1cccs1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H11N3S2/c19-11-12(18-20-14-4-1-2-5-15(14)21-18)10-13-7-8-17(23-13)16-6-3-9-22-16/h1-10H,(H,20,21)/b12-10+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Clostridium botulinum BoNT/A light chain after 40 mins by HPLC assay |
Bioorg Med Chem 19: 7338-48 (2011)
Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3 |
More data for this Ligand-Target Pair | |
Lethal factor
(Bacillus anthracis) | BDBM50360392
(CHEMBL1933865)Show InChI InChI=1S/C17H12IN3O/c1-22-16-7-6-11(9-13(16)18)8-12(10-19)17-20-14-4-2-3-5-15(14)21-17/h2-9H,1H3,(H,20,21)/b12-8+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.40E+4 | 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 using MCA-KKVYPYPME[dnp]Kamide peptide substrate after 30 mins by FRET assay |
Bioorg Med Chem 19: 7338-48 (2011)
Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50360392
(CHEMBL1933865)Show InChI InChI=1S/C17H12IN3O/c1-22-16-7-6-11(9-13(16)18)8-12(10-19)17-20-14-4-2-3-5-15(14)21-17/h2-9H,1H3,(H,20,21)/b12-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
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 human MMP2 |
Bioorg Med Chem 19: 7338-48 (2011)
Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3 |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50360393
(CHEMBL1933882)Show SMILES N#C\C(=C/c1ccc(s1)-c1cccs1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H11N3S2/c19-11-12(18-20-14-4-1-2-5-15(14)21-18)10-13-7-8-17(23-13)16-6-3-9-22-16/h1-10H,(H,20,21)/b12-10+ | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP2 |
Bioorg Med Chem 19: 7338-48 (2011)
Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50360393
(CHEMBL1933882)Show SMILES N#C\C(=C/c1ccc(s1)-c1cccs1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H11N3S2/c19-11-12(18-20-14-4-1-2-5-15(14)21-18)10-13-7-8-17(23-13)16-6-3-9-22-16/h1-10H,(H,20,21)/b12-10+ | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP1 |
Bioorg Med Chem 19: 7338-48 (2011)
Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50360392
(CHEMBL1933865)Show InChI InChI=1S/C17H12IN3O/c1-22-16-7-6-11(9-13(16)18)8-12(10-19)17-20-14-4-2-3-5-15(14)21-17/h2-9H,1H3,(H,20,21)/b12-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
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 human MMP1 |
Bioorg Med Chem 19: 7338-48 (2011)
Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3 |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type B
(Clostridium botulinum) | BDBM50360393
(CHEMBL1933882)Show SMILES N#C\C(=C/c1ccc(s1)-c1cccs1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H11N3S2/c19-11-12(18-20-14-4-1-2-5-15(14)21-18)10-13-7-8-17(23-13)16-6-3-9-22-16/h1-10H,(H,20,21)/b12-10+ | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| 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 botulinum BoNT/B light chain after 40 mins by FRET-based assay |
Bioorg Med Chem 19: 7338-48 (2011)
Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3 |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type B
(Clostridium botulinum) | BDBM50360392
(CHEMBL1933865)Show InChI InChI=1S/C17H12IN3O/c1-22-16-7-6-11(9-13(16)18)8-12(10-19)17-20-14-4-2-3-5-15(14)21-17/h2-9H,1H3,(H,20,21)/b12-8+ | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
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 botulinum BoNT/B light chain after 40 mins by FRET-based assay |
Bioorg Med Chem 19: 7338-48 (2011)
Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50360392
(CHEMBL1933865)Show InChI InChI=1S/C17H12IN3O/c1-22-16-7-6-11(9-13(16)18)8-12(10-19)17-20-14-4-2-3-5-15(14)21-17/h2-9H,1H3,(H,20,21)/b12-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
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 human MMP9 |
Bioorg Med Chem 19: 7338-48 (2011)
Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3 |
More data for this Ligand-Target Pair | |
Lethal factor
(Bacillus anthracis) | BDBM50360393
(CHEMBL1933882)Show SMILES N#C\C(=C/c1ccc(s1)-c1cccs1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H11N3S2/c19-11-12(18-20-14-4-1-2-5-15(14)21-18)10-13-7-8-17(23-13)16-6-3-9-22-16/h1-10H,(H,20,21)/b12-10+ | 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 | >1.00E+5 | 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 using MCA-KKVYPYPME[dnp]Kamide peptide substrate after 30 mins by FRET assay |
Bioorg Med Chem 19: 7338-48 (2011)
Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3 |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50360393
(CHEMBL1933882)Show SMILES N#C\C(=C/c1ccc(s1)-c1cccs1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H11N3S2/c19-11-12(18-20-14-4-1-2-5-15(14)21-18)10-13-7-8-17(23-13)16-6-3-9-22-16/h1-10H,(H,20,21)/b12-10+ | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP9 |
Bioorg Med Chem 19: 7338-48 (2011)
Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3 |
More data for this Ligand-Target Pair | |