Found 5 hits of ic50 for monomerid = 50111771 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
(Equus caballus (Horse)) | BDBM50111771
(CHEMBL3605356)Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12 Show InChI InChI=1S/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-10-9-22(34)31-28(32)38)14-30-25(37)15-5-4-8-17(11-15)39-16-6-2-1-3-7-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Jena
Curated by ChEMBL
| Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay |
J Med Chem 58: 6710-5 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50111771
(CHEMBL3605356)Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12 Show InChI InChI=1S/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-10-9-22(34)31-28(32)38)14-30-25(37)15-5-4-8-17(11-15)39-16-6-2-1-3-7-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Jena
Curated by ChEMBL
| Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay |
J Med Chem 58: 6710-5 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50111771
(CHEMBL3605356)Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12 Show InChI InChI=1S/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-10-9-22(34)31-28(32)38)14-30-25(37)15-5-4-8-17(11-15)39-16-6-2-1-3-7-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1 | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells by Ellman's method |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116355
BindingDB Entry DOI: 10.7270/Q2JS9V7D |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50111771
(CHEMBL3605356)Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12 Show InChI InChI=1S/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-10-9-22(34)31-28(32)38)14-30-25(37)15-5-4-8-17(11-15)39-16-6-2-1-3-7-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Jena
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAOB |
J Med Chem 58: 6710-5 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50111771
(CHEMBL3605356)Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12 Show InChI InChI=1S/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-10-9-22(34)31-28(32)38)14-30-25(37)15-5-4-8-17(11-15)39-16-6-2-1-3-7-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Jena
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAOA |
J Med Chem 58: 6710-5 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ |
More data for this
Ligand-Target Pair | |
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