Affinity Data by PDB ID

PDB code 1W6R

Identical Ligands in BindingDB

Found 9 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Acetylcholinesterase (543/543 = 100%)^† (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	190	-39.0	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...				J Enzyme Inhib Med Chem 21: 703-10 (2006) Article DOI: 10.1080/14756360600889708 BindingDB Entry DOI: 10.7270/Q26D5RJS
University of Karachi					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (543/543 = 100%)^† (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				Bioorg Med Chem 6: 1835-50 (1998) Article DOI: 10.1016/s0968-0896(98)00133-3 BindingDB Entry DOI: 10.7270/Q2B56GZ2
CNRS					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (543/543 = 100%)^† (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Politécnico Nacional Curated by ChEMBL					Assay Description Inhibitory activity of the compound against acetylcholinesterase (AChE) from Torpedo californica (Reversible type of inhibition)				Bioorg Med Chem Lett 13: 1825-7 (2003) BindingDB Entry DOI: 10.7270/Q2416WF2
Instituto Politécnico Nacional Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (543/543 = 100%)^† (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	418	n/a	n/a	n/a	n/a	8.0	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 126: 15405-11 (2004) Article DOI: 10.1021/ja0466154 BindingDB Entry DOI: 10.7270/Q2FX77N1
Weizmann Institute of Science					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (543/543 = 100%)^† (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of AChE				Bioorg Med Chem Lett 17: 2123-5 (2007) Article DOI: 10.1016/j.bmcl.2007.01.091 BindingDB Entry DOI: 10.7270/Q2RX9BQQ
Sun Yat-sen University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (543/543 = 100%)^† (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Mahidol University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AchE activity by Ellman's assay				Bioorg Med Chem 16: 6560-7 (2008) Article DOI: 10.1016/j.bmc.2008.05.027 BindingDB Entry DOI: 10.7270/Q29Z95T9
Mahidol University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (543/543 = 100%)^† (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	652	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 (543/543 = 100%)^† (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Sofia Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry				Bioorg Med Chem 23: 5382-9 (2015) Article DOI: 10.1016/j.bmc.2015.07.058 BindingDB Entry DOI: 10.7270/Q2X92D35
Medical University of Sofia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (543/543 = 100%)^† (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Sofia Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry				Bioorg Med Chem 23: 5382-9 (2015) Article DOI: 10.1016/j.bmc.2015.07.058 BindingDB Entry DOI: 10.7270/Q2X92D35
Medical University of Sofia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output