Found 44 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 |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383525
(CHEMBL2032269)Show InChI InChI=1S/C14H11ClN2O2/c15-13-8-11(12-2-1-7-16-9-12)4-3-10(13)5-6-14(18)17-19/h1-9,19H,(H,17,18)/b6-5+ | 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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383533
(CHEMBL2032254)Show InChI InChI=1S/C15H13ClN2O2/c16-13-9-11(12-3-1-2-4-14(12)17)6-5-10(13)7-8-15(19)18-20/h1-9,20H,17H2,(H,18,19)/b8-7+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383550
(CHEMBL2032381)Show InChI InChI=1S/C15H13ClN2O3/c1-21-15-7-5-12(9-17-15)11-3-2-10(13(16)8-11)4-6-14(19)18-20/h2-9,20H,1H3,(H,18,19)/b6-4+ | 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 | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383556
(CHEMBL2032387)Show InChI InChI=1S/C14H11ClN2O2/c15-13-9-12(10-5-7-16-8-6-10)2-1-11(13)3-4-14(18)17-19/h1-9,19H,(H,17,18)/b4-3+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383532
(CHEMBL2032249)Show InChI InChI=1S/C15H9ClF3NO2/c16-11-5-9(2-1-8(11)3-4-14(21)20-22)10-6-12(17)15(19)13(18)7-10/h1-7,22H,(H,20,21)/b4-3+ | 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 | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383552
(CHEMBL2032383)Show InChI InChI=1S/C15H13ClN2O3/c1-21-15-12(3-2-8-17-15)11-5-4-10(13(16)9-11)6-7-14(19)18-20/h2-9,20H,1H3,(H,18,19)/b7-6+ | 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 | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM23274
((2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamid...)Show InChI InChI=1S/C9H7Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383527
(CHEMBL2032250)Show InChI InChI=1S/C9H7BrClNO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383551
(CHEMBL2032382)Show InChI InChI=1S/C16H15ClN2O3/c1-10-7-16(22-2)18-9-13(10)12-4-3-11(14(17)8-12)5-6-15(20)19-21/h3-9,21H,1-2H3,(H,19,20)/b6-5+ | 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 | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383531
(CHEMBL2032248)Show InChI InChI=1S/C15H10ClF2NO2/c16-13-7-10(12-5-4-11(17)8-14(12)18)2-1-9(13)3-6-15(20)19-21/h1-8,21H,(H,19,20)/b6-3+ | 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 | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383545
(CHEMBL2032266)Show InChI InChI=1S/C14H17ClN2O2/c15-13-10-12(17-8-2-1-3-9-17)6-4-11(13)5-7-14(18)16-19/h4-7,10,19H,1-3,8-9H2,(H,16,18)/b7-5+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383565
(CHEMBL2032396)Show InChI InChI=1S/C14H13ClN2O3/c1-8-14(9(2)20-17-8)11-4-3-10(12(15)7-11)5-6-13(18)16-19/h3-7,19H,1-2H3,(H,16,18)/b6-5+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383558
(CHEMBL2032389)Show InChI InChI=1S/C14H12ClN3O3/c1-21-14-16-7-11(8-17-14)10-3-2-9(12(15)6-10)4-5-13(19)18-20/h2-8,20H,1H3,(H,18,19)/b5-4+ | 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 | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383529
(CHEMBL2032252)Show InChI InChI=1S/C15H12ClNO2/c16-14-10-13(11-4-2-1-3-5-11)7-6-12(14)8-9-15(18)17-19/h1-10,19H,(H,17,18)/b9-8+ | 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 | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383562
(CHEMBL2032393)Show InChI InChI=1S/C13H12ClN3O2/c1-17-12(6-7-15-17)10-3-2-9(11(14)8-10)4-5-13(18)16-19/h2-8,19H,1H3,(H,16,18)/b5-4+ | 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 | 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383557
(CHEMBL2032388)Show InChI InChI=1S/C13H10ClN3O2/c14-12-5-10(11-6-15-8-16-7-11)2-1-9(12)3-4-13(18)17-19/h1-8,19H,(H,17,18)/b4-3+ | 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 | 2.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383553
(CHEMBL2032384)Show SMILES COc1ccc(c(OC)n1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1 Show InChI InChI=1S/C16H15ClN2O4/c1-22-15-8-6-12(16(18-15)23-2)11-4-3-10(13(17)9-11)5-7-14(20)19-21/h3-9,21H,1-2H3,(H,19,20)/b7-5+ | 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 | 8.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383566
(CHEMBL2032398)Show InChI InChI=1S/C12H10ClN3O2/c13-10-7-9(11-5-6-14-15-11)2-1-8(10)3-4-12(17)16-18/h1-7,18H,(H,14,15)(H,16,17) | 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 | 9.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383524
(CHEMBL2032253)Show InChI InChI=1S/C15H11ClFNO2/c16-14-9-12(10-3-6-13(17)7-4-10)2-1-11(14)5-8-15(19)18-20/h1-9,20H,(H,18,19)/b8-5+ | 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 | 9.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383555
(CHEMBL2032386)Show InChI InChI=1S/C18H13ClN2O2/c19-16-10-13(6-5-12(16)7-8-18(22)21-23)15-9-14-3-1-2-4-17(14)20-11-15/h1-11,23H,(H,21,22)/b8-7+ | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383560
(CHEMBL2032391)Show SMILES CNC(=O)c1ccc(cn1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1 Show InChI InChI=1S/C16H14ClN3O3/c1-18-16(22)14-6-4-12(9-19-14)11-3-2-10(13(17)8-11)5-7-15(21)20-23/h2-9,23H,1H3,(H,18,22)(H,20,21)/b7-5+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383528
(CHEMBL2032251)Show InChI InChI=1S/C9H8ClNO2/c10-8-4-2-1-3-7(8)5-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-5+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383541
(CHEMBL2032262)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1 Show InChI InChI=1S/C16H14ClNO4S/c1-23(21,22)14-7-4-11(5-8-14)13-3-2-12(15(17)10-13)6-9-16(19)18-20/h2-10,20H,1H3,(H,18,19)/b9-6+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383561
(CHEMBL2032392)Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1 Show InChI InChI=1S/C19H21ClN4O2/c1-23-8-10-24(11-9-23)18-6-4-16(13-21-18)15-3-2-14(17(20)12-15)5-7-19(25)22-26/h2-7,12-13,26H,8-11H2,1H3,(H,22,25)/b7-5+ | 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 | 2.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383564
(CHEMBL2032395)Show InChI InChI=1S/C13H12ClN3O2/c1-17-8-15-7-12(17)10-3-2-9(11(14)6-10)4-5-13(18)16-19/h2-8,19H,1H3,(H,16,18)/b5-4+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383535
(CHEMBL2032256)Show InChI InChI=1S/C16H14ClNO3/c1-21-14-4-2-3-12(9-14)13-6-5-11(15(17)10-13)7-8-16(19)18-20/h2-10,20H,1H3,(H,18,19)/b8-7+ | 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 | 2.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383563
(CHEMBL2032394)Show InChI InChI=1S/C13H12ClN3O2/c1-17-8-11(7-15-17)10-3-2-9(12(14)6-10)4-5-13(18)16-19/h2-8,19H,1H3,(H,16,18)/b5-4+ | 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 | 2.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383548
(CHEMBL2032270)Show InChI InChI=1S/C14H10Cl2N2O2/c15-12-5-11(7-17-8-12)10-2-1-9(13(16)6-10)3-4-14(19)18-20/h1-8,20H,(H,18,19)/b4-3+ | 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 | 2.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383530
(CHEMBL2032247)Show InChI InChI=1S/C15H11ClFNO2/c16-14-9-12(11-2-1-3-13(17)8-11)5-4-10(14)6-7-15(19)18-20/h1-9,20H,(H,18,19)/b7-6+ | 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 | 3.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383534
(CHEMBL2032255)Show InChI InChI=1S/C16H14ClNO3/c1-21-14-7-4-11(5-8-14)13-3-2-12(15(17)10-13)6-9-16(19)18-20/h2-10,20H,1H3,(H,18,19)/b9-6+ | 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 | 3.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383540
(CHEMBL2032261)Show InChI InChI=1S/C16H12ClNO4/c17-13-7-11(2-1-10(13)4-6-16(19)18-20)12-3-5-14-15(8-12)22-9-21-14/h1-8,20H,9H2,(H,18,19)/b6-4+ | 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 | 3.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383546
(CHEMBL2032267)Show InChI InChI=1S/C13H15ClN2O3/c14-12-9-11(16-5-7-19-8-6-16)3-1-10(12)2-4-13(17)15-18/h1-4,9,18H,5-8H2,(H,15,17)/b4-2+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383549
(CHEMBL2032271)Show InChI InChI=1S/C15H13ClN2O3/c1-21-13-6-12(8-17-9-13)11-3-2-10(14(16)7-11)4-5-15(19)18-20/h2-9,20H,1H3,(H,18,19)/b5-4+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383539
(CHEMBL2032260)Show SMILES ONC(=O)\C=C\c1ccc(cc1Cl)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H11ClF3NO2/c17-14-9-12(2-1-11(14)5-8-15(22)21-23)10-3-6-13(7-4-10)16(18,19)20/h1-9,23H,(H,21,22)/b8-5+ | 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 | 3.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383538
(CHEMBL2032259)Show SMILES ONC(=O)\C=C\c1ccc(cc1Cl)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H11ClF3NO2/c17-14-9-12(5-4-10(14)6-7-15(22)21-23)11-2-1-3-13(8-11)16(18,19)20/h1-9,23H,(H,21,22)/b7-6+ | 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 | 3.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383544
(CHEMBL2032265)Show InChI InChI=1S/C13H16ClNO3/c1-9(2)8-18-11-5-3-10(12(14)7-11)4-6-13(16)15-17/h3-7,9,17H,8H2,1-2H3,(H,15,16)/b6-4+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383536
(CHEMBL2032257)Show InChI InChI=1S/C16H14ClNO2/c1-11-2-4-12(5-3-11)14-7-6-13(15(17)10-14)8-9-16(19)18-20/h2-10,20H,1H3,(H,18,19)/b9-8+ | 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 | 6.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383526
(CHEMBL2032397)Show InChI InChI=1S/C12H10ClN3O2/c13-11-5-9(10-6-14-15-7-10)2-1-8(11)3-4-12(17)16-18/h1-7,18H,(H,14,15)(H,16,17)/b4-3+ | 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 | 6.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383543
(CHEMBL2032264)Show InChI InChI=1S/C17H14ClNO2/c18-16-12-14(7-6-13-4-2-1-3-5-13)8-9-15(16)10-11-17(20)19-21/h1-12,21H,(H,19,20)/b7-6+,11-10+ | 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 | 6.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383559
(CHEMBL2032390)Show InChI InChI=1S/C16H16ClN3O2/c1-20(2)15-7-5-13(10-18-15)12-4-3-11(14(17)9-12)6-8-16(21)19-22/h3-10,22H,1-2H3,(H,19,21)/b8-6+ | 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 | 7.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383542
(CHEMBL2032263)Show SMILES ONC(=O)\C=C\c1ccc(cc1Cl)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H19ClN2O5S/c20-18-13-16(2-1-15(18)5-8-19(23)21-24)14-3-6-17(7-4-14)28(25,26)22-9-11-27-12-10-22/h1-8,13,24H,9-12H2,(H,21,23)/b8-5+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383537
(CHEMBL2032258)Show InChI InChI=1S/C16H14ClNO2/c1-11-3-2-4-13(9-11)14-6-5-12(15(17)10-14)7-8-16(19)18-20/h2-10,20H,1H3,(H,18,19)/b8-7+ | 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 |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383547
(CHEMBL2032268)Show InChI InChI=1S/C13H16ClN3O2/c14-12-9-11(17-7-5-15-6-8-17)3-1-10(12)2-4-13(18)16-19/h1-4,9,15,19H,5-8H2,(H,16,18)/b4-2+ | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |
Botulinum neurotoxin type A
(Clostridium botulinum) | BDBM50383554
(CHEMBL2032385)Show InChI InChI=1S/C15H12Cl2N2O3/c1-22-15-13(17)7-11(8-18-15)10-3-2-9(12(16)6-10)4-5-14(20)19-21/h2-8,21H,1H3,(H,19,20)/b5-4+ | 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 |
Fox Chase Chemical Diversity Center
Curated by ChEMBL
| Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis |
Bioorg Med Chem Lett 22: 3754-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX |
More data for this Ligand-Target Pair | |