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2 similar compounds to monomer 50156209

Compile data set for download or QSAR
Wt: 443.5
BDBM50156200
Wt: 372.4
BDBM50195817

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50156200,50195817   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50195817
PNG
(CHEMBL3949439)
Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)\C=C\c2cccc(O)c2)cc1
Show InChI InChI=1S/C24H24N2O2/c1-26(17-20-6-3-2-4-7-20)18-21-10-13-22(14-11-21)25-24(28)15-12-19-8-5-9-23(27)16-19/h2-16,27H,17-18H2,1H3,(H,25,28)/b15-12+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.49E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for ...


Eur J Med Chem 121: 376-386 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.055
BindingDB Entry DOI: 10.7270/Q2HX1FNV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50156200
PNG
(CHEMBL3780274)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)NCCc1cccc2ccc(F)cc12
Show InChI InChI=1S/C23H26FN3O3S/c1-30-23-8-7-20(16-22(23)27-13-11-25-12-14-27)31(28,29)26-10-9-18-4-2-3-17-5-6-19(24)15-21(17)18/h2-8,15-16,25-26H,9-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.690n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counting method


ACS Med Chem Lett 7: 12-4 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00466
BindingDB Entry DOI: 10.7270/Q2Z89F8F
More data for this
Ligand-Target Pair