BDBM50532493 CHEMBL4533250
SMILES: Cl.Clc1ccccc1OCc1cc(OC[C@@H]2CCCN2)no1
InChI Key: InChIKey=XPCHUQKFRLWOSK-MERQFXBCSA-N
Data: 10 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sigma opioid receptor (RAT) | BDBM50532493 (CHEMBL4533250) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University Curated by ChEMBL | Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay | J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma opioid receptor (RAT) | BDBM50532493 (CHEMBL4533250) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University Curated by ChEMBL | Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay | J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma intracellular receptor 2 (Rattus norvegicus (Rat)) | BDBM50532493 (CHEMBL4533250) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University Curated by ChEMBL | Assay Description Displacement of [3H]DTG from rat brain sigma2 receptor by PDSP assay | J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma intracellular receptor 2 (Rattus norvegicus (Rat)) | BDBM50532493 (CHEMBL4533250) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University Curated by ChEMBL | Assay Description Displacement of [3H]DTG from rat brain sigma2 receptor by PDSP assay | J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine transporter (Homo sapiens (Human)) | BDBM50532493 (CHEMBL4533250) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University Curated by ChEMBL | Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells measured after 30 mins | J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine transporter (Homo sapiens (Human)) | BDBM50532493 (CHEMBL4533250) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University Curated by ChEMBL | Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells measured after 30 mins | J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50532493 (CHEMBL4533250) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University Curated by ChEMBL | Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells measured after 30 mins | J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50532493 (CHEMBL4533250) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University Curated by ChEMBL | Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells measured after 30 mins | J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50532493 (CHEMBL4533250) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University Curated by ChEMBL | Assay Description Displacement of [3H]-WIN35428 from human DAT expressed in HEK293 cells measured after 30 mins | J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50532493 (CHEMBL4533250) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University Curated by ChEMBL | Assay Description Displacement of [3H]-WIN35428 from human DAT expressed in HEK293 cells measured after 30 mins | J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571 | |||||||||||
More data for this Ligand-Target Pair |