Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Vesicular acetylcholine transporter (Rattus norvegicus) | BDBM50359391![]() (CHEMBL1929421) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50359391![]() (CHEMBL1929421) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of (+)-[3H]pentazocine from human sigma1 receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting meth... | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM21398![]() (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in rat brain membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM21398![]() (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of (+)-[3H]pentazocine from human sigma1 receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting meth... | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50281388![]() (CHEMBL4173258) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50338990![]() (1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in rat brain membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50018078![]() (2-(4-Phenyl-piperidin-1-yl)-cyclohexanol | 2-(4-Ph...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in rat brain membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma intracellular receptor 2 (Rattus norvegicus (Rat)) | BDBM50062551![]() (CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars | Article PubMed | 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma intracellular receptor 2 (Rattus norvegicus (Rat)) | BDBM21398![]() (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular acetylcholine transporter (Rattus norvegicus) | BDBM50281388![]() (CHEMBL4173258) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular acetylcholine transporter (Rattus norvegicus) | BDBM50018078![]() (2-(4-Phenyl-piperidin-1-yl)-cyclohexanol | 2-(4-Ph...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma intracellular receptor 2 (Rattus norvegicus (Rat)) | BDBM50359391![]() (CHEMBL1929421) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma intracellular receptor 2 (Rattus norvegicus (Rat)) | BDBM50338990![]() (1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma intracellular receptor 2 (Rattus norvegicus (Rat)) | BDBM50018078![]() (2-(4-Phenyl-piperidin-1-yl)-cyclohexanol | 2-(4-Ph...) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50281388![]() (CHEMBL4173258) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of (+)-[3H]pentazocine from human sigma1 receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting meth... | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50062551![]() (CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars | Article PubMed | 217 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in rat brain membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma intracellular receptor 2 (Rattus norvegicus (Rat)) | BDBM50281388![]() (CHEMBL4173258) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 326 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular acetylcholine transporter (Rattus norvegicus) | BDBM21398![]() (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 391 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular acetylcholine transporter (Rattus norvegicus) | BDBM50338990![]() (1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 492 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular acetylcholine transporter (Rattus norvegicus) | BDBM50062551![]() (CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars | Article PubMed | 4.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM50281388![]() (CHEMBL4173258) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Inhibition of recombinant human MAO-B using tyramine as substrate ampliflu red dye based fluorescence assay | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] A (Homo sapiens (Human)) | BDBM50281388![]() (CHEMBL4173258) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Inhibition of recombinant human MAO-A using tyramine as substrate ampliflu red dye based fluorescence assay | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50281388![]() (CHEMBL4173258) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by Ellman's method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM50281388![]() (CHEMBL4173258) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IQOG, CSIC Curated by ChEMBL | Assay Description Inhibition of human plasma BuChE using acetylthiocholine iodide as substrate by Ellman's method | J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q | |||||||||||
More data for this Ligand-Target Pair |