Found 15 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 |
|---|
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50025011
(CHEMBL3335076)Show SMILES [Br-].[Br-].NC(=O)c1cc[n+](C\C=C/C[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C16H16N4O2.2BrH/c17-16(21)15-5-11-20(12-6-15)8-2-1-7-19-9-3-14(4-10-19)13-18-22;;/h1-6,9-13H,7-8H2,(H-,17,21);2*1H/b2-1-;; | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.21E+5 | n/a | n/a | n/a | n/a | n/a |
Pt. Ravishankar Shukla University
Curated by ChEMBL
| Assay Description
Binding affinity to paraoxon-inhibited AChE (unknown origin) |
Bioorg Med Chem Lett 24: 4743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RR20TJ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50024963
(C-434 | TMB-4 | Trimedoxime Bromide)Show SMILES [Br-].[Br-].O\N=C\c1cc[n+](CCC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C15H16N4O2.2BrH/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21;;/h2-5,8-13H,1,6-7H2;2*1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a |
Pt. Ravishankar Shukla University
Curated by ChEMBL
| Assay Description
Binding affinity to paraoxon-inhibited AChE (unknown origin) |
Bioorg Med Chem Lett 24: 4743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RR20TJ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50024964
(CHEMBL491725)Show SMILES [Br-].[Br-].O\N=C/c1cc[n+](Cc2ccccc2C[n+]2ccc(\C=N/O)cc2)cc1 Show InChI InChI=1S/C20H18N4O2.2BrH/c25-21-13-17-5-9-23(10-6-17)15-19-3-1-2-4-20(19)16-24-11-7-18(8-12-24)14-22-26;;/h1-14H,15-16H2;2*1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.12E+5 | n/a | n/a | n/a | n/a | n/a |
Pt. Ravishankar Shukla University
Curated by ChEMBL
| Assay Description
Binding affinity to paraoxon-inhibited AChE (unknown origin) |
Bioorg Med Chem Lett 24: 4743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RR20TJ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50024965
(CHEMBL523630)Show SMILES [Br-].[Br-].O\N=C\c1cc[n+](Cc2cccc(C[n+]3ccc(\C=N\O)cc3)c2)cc1 Show InChI InChI=1S/C20H18N4O2.2BrH/c25-21-13-17-4-8-23(9-5-17)15-19-2-1-3-20(12-19)16-24-10-6-18(7-11-24)14-22-26;;/h1-14H,15-16H2;2*1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.51E+5 | n/a | n/a | n/a | n/a | n/a |
Pt. Ravishankar Shukla University
Curated by ChEMBL
| Assay Description
Binding affinity to paraoxon-inhibited AChE (unknown origin) |
Bioorg Med Chem Lett 24: 4743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RR20TJ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50024958
(2-Oxo-Propionaldehyde Oxime | Monoisonitrosoaceton...)Show InChI InChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3/b4-2+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.28E+5 | n/a | n/a | n/a | n/a | n/a |
Pt. Ravishankar Shukla University
Curated by ChEMBL
| Assay Description
Binding affinity to paraoxon-inhibited AChE (unknown origin) |
Bioorg Med Chem Lett 24: 4743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RR20TJ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50024967
(CHEMBL490727)Show SMILES [Br-].[Br-].O\N=C\c1cc[n+](Cc2ccc(C[n+]3ccc(\C=N\O)cc3)cc2)cc1 Show InChI InChI=1S/C20H18N4O2.2BrH/c25-21-13-17-5-9-23(10-6-17)15-19-1-2-20(4-3-19)16-24-11-7-18(8-12-24)14-22-26;;/h1-14H,15-16H2;2*1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.07E+5 | n/a | n/a | n/a | n/a | n/a |
Pt. Ravishankar Shukla University
Curated by ChEMBL
| Assay Description
Binding affinity to paraoxon-inhibited AChE (unknown origin) |
Bioorg Med Chem Lett 24: 4743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RR20TJ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50025010
(CHEMBL116379)Show SMILES [Br-].[Br-].NC(=O)c1cc[n+](CCCC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C16H18N4O2.2BrH/c17-16(21)15-5-11-20(12-6-15)8-2-1-7-19-9-3-14(4-10-19)13-18-22;;/h3-6,9-13H,1-2,7-8H2,(H-,17,21);2*1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.87E+4 | n/a | n/a | n/a | n/a | n/a |
Pt. Ravishankar Shukla University
Curated by ChEMBL
| Assay Description
Binding affinity to paraoxon-inhibited AChE (unknown origin) |
Bioorg Med Chem Lett 24: 4743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RR20TJ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50025014
(CHEMBL1824737)Show SMILES [Br-].[Br-].NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C20H18N4O2.2BrH/c21-20(25)17-7-11-24(12-8-17)15-19-4-2-1-3-18(19)14-23-9-5-16(6-10-23)13-22-26;;/h1-13H,14-15H2,(H-,21,25);2*1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.74E+5 | n/a | n/a | n/a | n/a | n/a |
Pt. Ravishankar Shukla University
Curated by ChEMBL
| Assay Description
Binding affinity to paraoxon-inhibited AChE (unknown origin) |
Bioorg Med Chem Lett 24: 4743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RR20TJ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50333782
(4-(aminocarbonyl)-1-(3-{4-[(E)-(hydroxyimino)methy...)Show InChI InChI=1S/C15H17N4O2/c16-15(20)14-4-10-19(11-5-14)7-1-6-18-8-2-13(3-9-18)12-17-21/h2-5,8-11H,1,6-7,12H2,(H-,16,20)/q+1/p+1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a |
Pt. Ravishankar Shukla University
Curated by ChEMBL
| Assay Description
Binding affinity to paraoxon-inhibited AChE (unknown origin) |
Bioorg Med Chem Lett 24: 4743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RR20TJ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50025012
(CHEMBL1824725)Show SMILES [Br-].[Br-].NC(=O)c1cc[n+](Cc2ccc(C[n+]3ccc(\C=N\O)cc3)cc2)cc1 Show InChI InChI=1S/C20H18N4O2.2BrH/c21-20(25)19-7-11-24(12-8-19)15-18-3-1-17(2-4-18)14-23-9-5-16(6-10-23)13-22-26;;/h1-13H,14-15H2,(H-,21,25);2*1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.73E+5 | n/a | n/a | n/a | n/a | n/a |
Pt. Ravishankar Shukla University
Curated by ChEMBL
| Assay Description
Binding affinity to paraoxon-inhibited AChE (unknown origin) |
Bioorg Med Chem Lett 24: 4743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RR20TJ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50024960
(CHEMBL3335073)Show InChI InChI=1S/C7H8N2O.BrH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.81E+3 | n/a | n/a | n/a | n/a | n/a |
Pt. Ravishankar Shukla University
Curated by ChEMBL
| Assay Description
Binding affinity to paraoxon-inhibited AChE (unknown origin) |
Bioorg Med Chem Lett 24: 4743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RR20TJ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50025013
(CHEMBL1824731)Show SMILES [Br-].[Br-].NC(=O)c1cc[n+](Cc2cccc(C[n+]3ccc(\C=N\O)cc3)c2)cc1 Show InChI InChI=1S/C20H18N4O2.2BrH/c21-20(25)19-6-10-24(11-7-19)15-18-3-1-2-17(12-18)14-23-8-4-16(5-9-23)13-22-26;;/h1-13H,14-15H2,(H-,21,25);2*1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.51E+5 | n/a | n/a | n/a | n/a | n/a |
Pt. Ravishankar Shukla University
Curated by ChEMBL
| Assay Description
Binding affinity to paraoxon-inhibited AChE (unknown origin) |
Bioorg Med Chem Lett 24: 4743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RR20TJ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50024961
(CHEMBL3335074)Show InChI InChI=1S/C7H8N2O.BrH/c1-9-4-2-3-7(6-9)5-8-10;/h2-6H,1H3;1H/b8-5+; | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.75E+5 | n/a | n/a | n/a | n/a | n/a |
Pt. Ravishankar Shukla University
Curated by ChEMBL
| Assay Description
Binding affinity to paraoxon-inhibited AChE (unknown origin) |
Bioorg Med Chem Lett 24: 4743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RR20TJ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50024962
(CHEMBL3335075)Show InChI InChI=1S/C7H8N2O.BrH/c1-9-4-2-7(3-5-9)6-8-10;/h2-6H,1H3;1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 9.62E+4 | n/a | n/a | n/a | n/a | n/a |
Pt. Ravishankar Shukla University
Curated by ChEMBL
| Assay Description
Binding affinity to paraoxon-inhibited AChE (unknown origin) |
Bioorg Med Chem Lett 24: 4743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RR20TJ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50024959
(2,3-Butanedione Monoxime | CHEBI:4480 | CHEMBL1255...)Show InChI InChI=1S/C4H7NO2/c1-3(5-7)4(2)6/h7H,1-2H3/b5-3+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.93E+5 | n/a | n/a | n/a | n/a | n/a |
Pt. Ravishankar Shukla University
Curated by ChEMBL
| Assay Description
Binding affinity to paraoxon-inhibited AChE (unknown origin) |
Bioorg Med Chem Lett 24: 4743-8 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.095
BindingDB Entry DOI: 10.7270/Q2RR20TJ |
More data for this
Ligand-Target Pair | |
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