Affinity Data by PDB ID

PDB code 2GYW

Identical Ligands in BindingDB

Found 11 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 (481/543 = 89%)^† (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 \| Obidoxime) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometry based Ellman's assay				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
Universit£ Grenoble Alpes Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (481/543 = 89%)^† (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 \| Obidoxime) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.17E+6	n/a	n/a	n/a	n/a	n/a	n/a
Fourth Military Medical University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured every 5 mins for 20 mi...				Bioorg Med Chem 25: 4497-4505 (2017) Article DOI: 10.1016/j.bmc.2017.06.041 BindingDB Entry DOI: 10.7270/Q2SJ1P2T
Fourth Military Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (481/543 = 89%)^† (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 \| Obidoxime) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	3.22E+4	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of paraoxon-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
Universit£ de Strasbourg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (481/543 = 89%)^† (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 \| Obidoxime) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (481/543 = 89%)^† (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 \| Obidoxime) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (481/543 = 89%)^† (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 \| Obidoxime) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a
Fourth Military Medical University Curated by ChEMBL					Assay Description Reactivation of tabun-induced inhibition of human AChE assessed as dissociation constant using acetylthiocholine as substrate preincubated for 30 min...				Bioorg Med Chem 25: 4497-4505 (2017) Article DOI: 10.1016/j.bmc.2017.06.041 BindingDB Entry DOI: 10.7270/Q2SJ1P2T
Fourth Military Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (481/543 = 89%)^† (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 \| Obidoxime) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of NIMP-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mi...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
Universit£ Grenoble Alpes Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (481/543 = 89%)^† (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 \| Obidoxime) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	5.50E+5	n/a	n/a	n/a	n/a	n/a
Universit£ Grenoble Alpes Curated by ChEMBL					Assay Description Reactivation of ethyl paraoxon-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for ...				J Med Chem 61: 7630-7639 (2018) Article DOI: 10.1021/acs.jmedchem.8b00592 BindingDB Entry DOI: 10.7270/Q2RF5XM2
Universit£ Grenoble Alpes Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (481/543 = 89%)^† (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 \| Obidoxime) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of tabun-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
Universit£ de Strasbourg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (481/543 = 89%)^† (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 \| Obidoxime) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of methylphosphonothioate VX-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
Universit£ de Strasbourg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (481/543 = 89%)^† (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 \| Obidoxime) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a
Defence Research & Development Establishment (DRDE) Curated by ChEMBL					Assay Description Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...				Bioorg Med Chem 23: 4899-910 (2015) Article DOI: 10.1016/j.bmc.2015.05.027 BindingDB Entry DOI: 10.7270/Q2GQ70J1
					More data for this Ligand-Target Pair				3D Structure (crystal)

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Search BindingMOAD for More Affinity Data:

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