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BDBM258423 US9512068, NDH4572

SMILES: COc1ccc2cc(ccc2c1)[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCCC(C)(C)C

InChI Key: InChIKey=XTKRBEOGGFZGAK-FNZWTVRRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 258423   
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


(Electrophorus electricus (Electric eel))		BDBM258423
PNG
(US9512068, NDH4572)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCCC(C)(C)C |r|
Show InChI InChI=1S/C29H35NO4/c1-20(22-11-12-24-19-25(33-5)14-13-23(24)18-22)27(31)30-26(17-21-9-7-6-8-10-21)28(32)34-16-15-29(2,3)4/h6-14,18-20,26H,15-17H2,1-5H3,(H,30,31)/t20-,26-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.77E+3n/an/an/an/a8.0n/a



RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY; LEHIGH UNIVERSITY

US Patent


Assay Description
The modified Ellman assay for inhibition of acetylcholinesterase (AChE) and the mouse ear vesication assay (MEVA) have been described in detail by us...

US Patent US9512068 (2016)


BindingDB Entry DOI: 10.7270/Q2HH6J0B
More data for this
Ligand-Target Pair