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SMILES: COc1ccc2C(=O)C(CC3C=CN(Cc4cccc(F)c4)C=C3C(C)=O)CCc2c1

InChI Key: InChIKey=FSRCSQIYHAMNKX-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50291626   
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))		BDBM50291626
PNG
(CHEMBL4174056)
Show SMILES COc1ccc2C(=O)C(CC3C=CN(Cc4cccc(F)c4)C=C3C(C)=O)CCc2c1 |c:11,23|
Show InChI InChI=1S/C26H26FNO3/c1-17(29)25-16-28(15-18-4-3-5-22(27)12-18)11-10-20(25)13-21-7-6-19-14-23(31-2)8-9-24(19)26(21)30/h3-5,8-12,14,16,20-21H,6-7,13,15H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL


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

Eur J Med Chem 145: 165-190 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.084
BindingDB Entry DOI: 10.7270/Q2FN18RR
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50291626
PNG
(CHEMBL4174056)
Show SMILES COc1ccc2C(=O)C(CC3C=CN(Cc4cccc(F)c4)C=C3C(C)=O)CCc2c1 |c:11,23|
Show InChI InChI=1S/C26H26FNO3/c1-17(29)25-16-28(15-18-4-3-5-22(27)12-18)11-10-20(25)13-21-7-6-19-14-23(31-2)8-9-24(19)26(21)30/h3-5,8-12,14,16,20-21H,6-7,13,15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every mi...

Eur J Med Chem 145: 165-190 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.084
BindingDB Entry DOI: 10.7270/Q2FN18RR
More data for this
Ligand-Target Pair