BDBM10942 (1R,10R)-16-methyl-14-{2-[methyl({3-[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]propyl})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 5b::bis(9)-Hup B

SMILES: CN(CCCN(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=KTFGBMXGPUIYSS-LMMAWDAISA-N

Data: 2 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 2 hits for monomerid = 10942   

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
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM10942 ((1R,10R)-16-methyl-14-{2-[methyl({3-[methyl({2-[(1...) Show SMILES CN(CCCN(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:30,56,TLB:35:36:38.39.45:50.48.47,13:14:16.17.23:28.26.25,44:45:36:50.48.47,22:23:14:28.26.25,THB:18:17:14:28.26.25,40:39:36:50.48.47,49:48:36:38.39.45,27:26:14:16.17.23| Show InChI InChI=1S/C41H54N6O4/c1-26-18-28-20-34-32(10-12-36(48)42-34)40(22-26)30(28)8-5-16-46(40)38(50)24-44(3)14-7-15-45(4)25-39(51)47-17-6-9-31-29-19-27(2)23-41(31,47)33-11-13-37(49)43-35(33)21-29/h10-13,18-19,28-31H,5-9,14-17,20-25H2,1-4H3,(H,42,48)(H,43,49)/t28?,29?,30-,31-,40-,41-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	7.4	37
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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10942 ((1R,10R)-16-methyl-14-{2-[methyl({3-[methyl({2-[(1...) Show SMILES CN(CCCN(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:30,56,TLB:35:36:38.39.45:50.48.47,13:14:16.17.23:28.26.25,44:45:36:50.48.47,22:23:14:28.26.25,THB:18:17:14:28.26.25,40:39:36:50.48.47,49:48:36:38.39.45,27:26:14:16.17.23| Show InChI InChI=1S/C41H54N6O4/c1-26-18-28-20-34-32(10-12-36(48)42-34)40(22-26)30(28)8-5-16-46(40)38(50)24-44(3)14-7-15-45(4)25-39(51)47-17-6-9-31-29-19-27(2)23-41(31,47)33-11-13-37(49)43-35(33)21-29/h10-13,18-19,28-31H,5-9,14-17,20-25H2,1-4H3,(H,42,48)(H,43,49)/t28?,29?,30-,31-,40-,41-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	471	n/a	n/a	n/a	n/a	7.4	37
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