BDBM10441 (+)-Huperzine A::(+/-)Huperzine A::(-)-Huperzine A::(13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one::(1R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one::(1S,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one::(5S,11E)-5-amino-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2(1H)-one::Huperzine A

SMILES: C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2

InChI Key:

Data: 8 KI  11 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 17 hits for monomerid = 10441   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Human)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	260	n/a	n/a	n/a	n/a	8.0	25
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Cholinesterase (Human)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Human)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	648	n/a	n/a	n/a	n/a	8.0	n/a
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Acetylcholinesterase (Human)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Cholinesterase (Human)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cholinesterase (Human)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Rat)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	72.4	n/a	n/a	n/a	n/a	7.4	37
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Carboxylic ester hydrolase (Rat)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.02E+4	n/a	n/a	n/a	n/a	7.4	37
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					More data for this Ligand-Target Pair
Acetylcholinesterase (Human)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	47	n/a	n/a	n/a	n/a	8.0	37
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					More data for this Ligand-Target Pair
Acetylcholinesterase (Human)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		4.60	-11.4	n/a	n/a	n/a	n/a	n/a	7.0	25
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					More data for this Ligand-Target Pair
Acetylcholinesterase (Human)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		47	-9.99	n/a	n/a	n/a	n/a	n/a	8.0	25
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					More data for this Ligand-Target Pair
Acetylcholinesterase (Rat)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		47.1	-9.89	114	n/a	n/a	n/a	n/a	7.0	22
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Acetylcholinesterase (Pacific electric ray)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		175	-9.21	n/a	n/a	n/a	n/a	n/a	7.0	25
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					More data for this Ligand-Target Pair
Acetylcholinesterase (Pacific electric ray)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		175	-9.12	414	n/a	n/a	n/a	n/a	7.0	22
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					More data for this Ligand-Target Pair
Cholinesterase (Human)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+3	>-8.18	n/a	n/a	n/a	n/a	n/a	8.0	25
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					More data for this Ligand-Target Pair
Acetylcholinesterase (Pacific electric ray)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		4.30E+3	-7.32	n/a	n/a	n/a	n/a	n/a	7.0	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Pacific electric ray)	BDBM10441 ((+)-Huperzine A | (13E)-1-amino-13-ethylidene-11-m...) Show SMILES Show InChI	GoogleScholar	UniChem		4.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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