BDBM11688 (3aS,8aS)-1,3a,8-trimethyl-1-oxido-5-{[(2-propylphenyl)carbamoyl]oxy}-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-1-ium hydrochloride::Ganstigmine (CHF-2819) Analogue 5

SMILES: [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4CCC)cc3[C@]1(C)CC[N+]2(C)[O-]

InChI Key: InChIKey=ZILUEQLFAVLYQS-OYICLKKBSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 1 hit for monomerid = 11688   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM11688 ((3aS,8aS)-1,3a,8-trimethyl-1-oxido-5-{[(2-propylph...) Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4CCC)cc3[C@]1(C)CC[N+]2(C)[O-] |r| Show InChI InChI=1S/C23H29N3O3/c1-5-8-16-9-6-7-10-19(16)24-22(27)29-17-11-12-20-18(15-17)23(2)13-14-26(4,28)21(23)25(20)3/h6-7,9-12,15,21H,5,8,13-14H2,1-4H3,(H,24,27)/t21-,23-,26?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.44E+3	n/a	n/a	n/a	n/a	8.0	22
Istituto di Cristallografia					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Med Chem 49: 5051-8 (2006) Article DOI: 10.1021/jm060293s BindingDB Entry DOI: 10.7270/Q2DN439P
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