Found 5 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 |
Cholinesterase
(Homo sapiens (Human)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method |
Bioorg Med Chem 23: 4442-52 (2015)
Article DOI: 10.1016/j.bmc.2015.06.010 BindingDB Entry DOI: 10.7270/Q2W097PZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM50027376
(CHEMBL3338391)Show SMILES COCCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C29H34N2O2/c1-33-16-15-31(29(32)27-13-12-23-8-2-3-9-24(23)17-27)21-22-7-6-14-30(20-22)28-18-25-10-4-5-11-26(25)19-28/h2-5,8-13,17,22,28H,6-7,14-16,18-21H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method |
Bioorg Med Chem 23: 4442-52 (2015)
Article DOI: 10.1016/j.bmc.2015.06.010 BindingDB Entry DOI: 10.7270/Q2W097PZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Mus musculus (mouse)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant AChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method |
Bioorg Med Chem 23: 4442-52 (2015)
Article DOI: 10.1016/j.bmc.2015.06.010 BindingDB Entry DOI: 10.7270/Q2W097PZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM50096250
(CHEMBL3593658)Show SMILES COCCN(CC1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C33H44ClN5O5/c1-4-20(3)28-33(44)39-18-12-11-17-26(39)31(42)36-25(16-8-6-7-13-21(40)5-2)30(41)38-29(32(43)37-28)23-19-35-24-15-10-9-14-22(24)27(23)34/h9-10,14-15,19-20,25-26,28-29H,4-8,11-13,16-18H2,1-3H3,(H,36,42)(H,37,43)(H,38,41)/t20?,25-,26+,28-,29+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 215 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method |
Bioorg Med Chem 23: 4442-52 (2015)
Article DOI: 10.1016/j.bmc.2015.06.010 BindingDB Entry DOI: 10.7270/Q2W097PZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM50096251
(CHEMBL3593652)Show SMILES COCCN(CC1CCN(Cc2nc3ccccc3s2)CC1)C(=O)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C38H56N6O5/c1-4-26(3)34-38(49)44-22-12-11-19-33(44)37(48)39-30(17-8-6-7-15-28(45)5-2)35(46)40-31(36(47)41-34)23-27-24-43(25-42-20-13-14-21-42)32-18-10-9-16-29(27)32/h9-10,16,18,24,26,30-31,33-34H,4-8,11-15,17,19-23,25H2,1-3H3,(H,39,48)(H,40,46)(H,41,47)/t26?,30-,31-,33+,34-/m0/s1 | PDB MMDB
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 | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method |
Bioorg Med Chem 23: 4442-52 (2015)
Article DOI: 10.1016/j.bmc.2015.06.010 BindingDB Entry DOI: 10.7270/Q2W097PZ |
More data for this Ligand-Target Pair | |