BDBM10490 7-({1-chloro-6H,7H,8H,9H,10H-cyclohepta[b]quinolin-11-yl}amino)-1,1,1-trifluoroheptane-2,2-diol::7-[(1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)amino]-1,1,1-trifluoroheptane-2,2-diol::N-Alkylated Tacrine Analogue 6a

SMILES: OC(O)(CCCCCNc1c2CCCCCc2nc2cccc(Cl)c12)C(F)(F)F

InChI Key: InChIKey=YTLVVJVRXFGCBL-UHFFFAOYSA-N

Data: 1 IC50

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 = 10490   

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...)	BDBM10490 (7-({1-chloro-6H,7H,8H,9H,10H-cyclohepta[b]quinolin...) Show SMILES OC(O)(CCCCCNc1c2CCCCCc2nc2cccc(Cl)c12)C(F)(F)F Show InChI InChI=1S/C21H26ClF3N2O2/c22-15-9-7-11-17-18(15)19(14-8-3-1-4-10-16(14)27-17)26-13-6-2-5-12-20(28,29)21(23,24)25/h7,9,11,28-29H,1-6,8,10,12-13H2,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	7.8	22
Syngenta					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 44: 3203-15 (2001) Article DOI: 10.1021/jm010826r BindingDB Entry DOI: 10.7270/Q2PC30MT
					More data for this Ligand-Target Pair