Affinity Data by PDB ID

Search and Browse
- Target
- Compound
- Special tools
- Citation
- Special Data Sets
- Other Databases
  - PDB 85% 100% Seq ID
  - UniProtKB/Swiss-Prot
  - UniProtKB/TrEMBL
  - PubMed
Download
- All Compounds & Data
- Target Names &
  - Ki IC50 Kd EC50
  - ΔG° ΔH° -TΔS°
Enter Data

PDB code 1EVE

Identical Ligands in BindingDB

Found 5 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...)	BDBM50037187 ((2R)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimeth...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Binding affinity tested against acetylcholinesterase in Torpedo californica				J Med Chem 47: 2839-52 (2004) Article DOI: 10.1021/jm031032a BindingDB Entry DOI: 10.7270/Q2P84CN5
University of Hamburg Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (543/543 = 100%)^† (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.70	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...)	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in Torpedo californica				Bioorg Med Chem Lett 8: 575-80 (1999) Article DOI: 10.1016/s0960-894x(98)00076-6 BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (543/543 = 100%)^† (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
Alzahra University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (543/543 = 100%)^† (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description In vitro inhibition of Torpedo californica acetylcholinesterase.				J Med Chem 42: 730-41 (1999) Article DOI: 10.1021/jm981101z BindingDB Entry DOI: 10.7270/Q26M37JW
Universit£ Louis Pasteur Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

Reorder this table by ec50
Reorder this table by ic50
Reorder this table by Kd
Reorder this table by pH
Reorder this table by T
Reorder this table by ΔH°
Reorder this table by -TΔS°
Change energy units to: kcal/mole

Search BindingMOAD for More Affinity Data:

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