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BDBM10941 (1R,10R)-16-methyl-14-{2-[methyl({2-[methyl({2-[(1R,10R)-16-methyl-5-oxo-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,16-trien-14-yl]-2-oxoethyl})amino]ethyl})amino]acetyl}-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,16-trien-5-one::Bis-huperzine B 5a::bis(8)-Hup B

SMILES: CN(CCN(C)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3

InChI Key: InChIKey=CTEOPWRYKGOSFE-KUNPEOQISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10941   
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


(Rattus norvegicus (rat))		BDBM10941
PNG
((1R,10R)-16-methyl-14-{2-[methyl({2-[methyl({2-[(1...)
Show SMILES CN(CCN(C)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:29,55,TLB:34:35:37.38.44:49.47.46,12:13:15.16.22:27.25.24,43:44:35:49.47.46,21:22:13:27.25.24,THB:17:16:13:27.25.24,39:38:35:49.47.46,48:47:35:37.38.44,26:25:13:15.16.22|
Show InChI InChI=1S/C40H52N6O4/c1-25-17-27-19-33-31(9-11-35(47)41-33)39(21-25)29(27)7-5-13-45(39)37(49)23-43(3)15-16-44(4)24-38(50)46-14-6-8-30-28-18-26(2)22-40(30,46)32-10-12-36(48)42-34(32)20-28/h9-12,17-18,27-30H,5-8,13-16,19-24H2,1-4H3,(H,41,47)(H,42,48)/t27?,28?,29-,30-,39-,40-/m1/s1
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UniChem

Similars
Article
PubMed
n/an/a 1.02E+3n/an/an/an/a7.437



Shanghai Institute of Materia Medica



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 48: 655-7 (2005)


Article DOI: 10.1021/jm0496178
BindingDB Entry DOI: 10.7270/Q2FQ9TT0
More data for this
Ligand-Target Pair