BindingDB PrimarySearch

null

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

InChI Key: InChIKey=ZRJBHWIHUMBLCN-QDEBKDIKSA-N

PDB links: 2 PDB IDs match this monomer.

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/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	72.4	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
Shanghai Institute of Materia Medica					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
Universit£ di Siena Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	8.0	37
National Institutes of Health					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 45: 3684-91 (2002) Article DOI: 10.1021/jm010491d BindingDB Entry DOI: 10.7270/Q22J6933
National Institutes of Health					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 45: 3684-91 (2002) Article DOI: 10.1021/jm010491d BindingDB Entry DOI: 10.7270/Q22J6933
National Institutes of Health					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	175	-9.12	414	n/a	n/a	n/a	n/a	7.0	22
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Am Chem Soc 125: 363-73 (2003) Article DOI: 10.1021/ja021111w BindingDB Entry DOI: 10.7270/Q26D5R69
Weizmann Institute of Science					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	47.1	-9.89	114	n/a	n/a	n/a	n/a	7.0	22
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Am Chem Soc 125: 363-73 (2003) Article DOI: 10.1021/ja021111w BindingDB Entry DOI: 10.7270/Q26D5R69
Weizmann Institute of Science					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	8.0	25
Universitat de Barcelona					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: 1701-4 (2005) Article DOI: 10.1021/jm0496741 BindingDB Entry DOI: 10.7270/Q21N7ZB6
Universitat de Barcelona					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona					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: 1701-4 (2005) Article DOI: 10.1021/jm0496741 BindingDB Entry DOI: 10.7270/Q21N7ZB6
Universitat de Barcelona					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	47	-9.99	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita di Siena					Assay Description The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c...				J Med Chem 49: 3421-5 (2006) Article DOI: 10.1021/jm060257t BindingDB Entry DOI: 10.7270/Q2WW7FWB
Universita di Siena					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+3	>-8.18	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita di Siena					Assay Description The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c...				J Med Chem 49: 3421-5 (2006) Article DOI: 10.1021/jm060257t BindingDB Entry DOI: 10.7270/Q2WW7FWB
Universita di Siena					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 2174-85 (2006) Article DOI: 10.1021/jm050578p BindingDB Entry DOI: 10.7270/Q2S75DJ6
National Institutes of Health					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 2174-85 (2006) Article DOI: 10.1021/jm050578p BindingDB Entry DOI: 10.7270/Q2S75DJ6
National Institutes of Health					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	175	-9.21	n/a	n/a	n/a	n/a	n/a	7.0	25
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				Biochemistry 41: 10810-8 (2002) Article DOI: 10.1021/bi020151+ BindingDB Entry DOI: 10.7270/Q2HQ3X52
Weizmann Institute of Science					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.30E+3	-7.32	n/a	n/a	n/a	n/a	n/a	7.0	25
Weizmann Institute of Science					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				Biochemistry 41: 10810-8 (2002) Article DOI: 10.1021/bi020151+ BindingDB Entry DOI: 10.7270/Q2HQ3X52
Weizmann Institute of Science					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	4.60	-11.4	n/a	n/a	n/a	n/a	n/a	7.0	25
Mayo Clinic College of Medicine					Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...				Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT
Mayo Clinic College of Medicine					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	648	n/a	n/a	n/a	n/a	8.0	n/a
Shenyang Pharmaceutical University					Assay Description The reaction mixture was consisted of 100 �L of the total volume. To the solution of PBS (pH 8.0, 30 �L) consisted of KH2PO4 and K2HPO4 in 96-well pl...				Bioorg Chem 68: 112-123 (2016) Article DOI: 10.1016/j.bioorg.2016.07.013 BindingDB Entry DOI: 10.7270/Q27W6B05
Shenyang Pharmaceutical University					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM10441 ((+)-Huperzine A \| (+/-)Huperzine A \| (-)-Huperzine...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.02E+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
Shanghai Institute of Materia Medica					More data for this Ligand-Target Pair