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BDBM50262647 CHEMBL4077493

SMILES: CN1c2ccccc2C(c2ccccc12)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C

InChI Key: InChIKey=MRWMVUOHYHDANS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50262647   
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
Cholinesterase


(Equus caballus (Horse))		BDBM50262647
PNG
(CHEMBL4077493)
Show SMILES CN1c2ccccc2C(c2ccccc12)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C28H33NO/c1-27(2,3)18-16-21(26(30)22(17-18)28(4,5)6)25-19-12-8-10-14-23(19)29(7)24-15-11-9-13-20(24)25/h8-17,25,30H,1-7H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Institute of Physiologically Active Compounds Russian Academy of Sciences, Chernogolovka 142432, Russia.

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by L...

Bioorg Med Chem 25: 5981-5994 (2017)


Article DOI: 10.1016/j.bmc.2017.09.028
BindingDB Entry DOI: 10.7270/Q2FT8PHZ
More data for this
Ligand-Target Pair