BDBM10946 (1R,10R)-16-methyl-14-{3-[methyl({8-[methyl({3-[(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]-3-oxopropyl})amino]octyl})amino]propanoyl}-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,16-trien-5-one::Bis-huperzine B 5f::bis(16)-HupB

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

InChI Key: InChIKey=XCDQISLHKSKFLH-AZGNAIHRSA-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 = 10946   

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))	BDBM10946 ((1R,10R)-16-methyl-14-{3-[methyl({8-[methyl({3-[(1...) Show SMILES CN(CCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:36,63,TLB:42:43:45.46.52:57.55.54,51:52:43:57.55.54,28:29:20:34.32.31,19:20:22.23.29:34.32.31,THB:33:32:20:22.23.29,47:46:43:57.55.54,24:23:20:34.32.31,56:55:43:45.46.52| Show InChI InChI=1S/C48H68N6O4/c1-33-27-35-29-41-39(15-17-43(55)49-41)47(31-33)37(35)13-11-23-53(47)45(57)19-25-51(3)21-9-7-5-6-8-10-22-52(4)26-20-46(58)54-24-12-14-38-36-28-34(2)32-48(38,54)40-16-18-44(56)50-42(40)30-36/h15-18,27-28,35-38H,5-14,19-26,29-32H2,1-4H3,(H,49,55)(H,50,56)/t35?,36?,37-,38-,47-,48-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+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))	BDBM10946 ((1R,10R)-16-methyl-14-{3-[methyl({8-[methyl({3-[(1...) Show SMILES CN(CCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:36,63,TLB:42:43:45.46.52:57.55.54,51:52:43:57.55.54,28:29:20:34.32.31,19:20:22.23.29:34.32.31,THB:33:32:20:22.23.29,47:46:43:57.55.54,24:23:20:34.32.31,56:55:43:45.46.52| Show InChI InChI=1S/C48H68N6O4/c1-33-27-35-29-41-39(15-17-43(55)49-41)47(31-33)37(35)13-11-23-53(47)45(57)19-25-51(3)21-9-7-5-6-8-10-22-52(4)26-20-46(58)54-24-12-14-38-36-28-34(2)32-48(38,54)40-16-18-44(56)50-42(40)30-36/h15-18,27-28,35-38H,5-14,19-26,29-32H2,1-4H3,(H,49,55)(H,50,56)/t35?,36?,37-,38-,47-,48-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.5	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