BDBM50036847 CHEMBL54266::N-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propyl}-4-methyl-benzenesulfonamide; compound with oxalic acid
SMILES: CCCN(CCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1
InChI Key: InChIKey=AQJAKCNEOWYUTG-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50036847 (CHEMBL54266 | N-{3-[(5-Methoxy-chroman-3-yl)-propy...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lausanne Curated by ChEMBL | Assay Description Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement | J Med Chem 39: 126-34 (1996) Article DOI: 10.1021/jm950410b BindingDB Entry DOI: 10.7270/Q2VX0K7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cerebral cortex alpha adrenergic receptor (CALF) | BDBM50036847 (CHEMBL54266 | N-{3-[(5-Methoxy-chroman-3-yl)-propy...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans Curated by ChEMBL | Assay Description Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex | J Med Chem 37: 1779-93 (1994) BindingDB Entry DOI: 10.7270/Q2HH6KPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 1B/1D receptor (Rattus norvegicus (Rat)) | BDBM50036847 (CHEMBL54266 | N-{3-[(5-Methoxy-chroman-3-yl)-propy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans Curated by ChEMBL | Assay Description Binding affinity for 5-hydroxytryptamine 1B receptor in rat cortex, striatum and globus pallidus | J Med Chem 37: 1779-93 (1994) BindingDB Entry DOI: 10.7270/Q2HH6KPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
adrenergic Alpha2 (BOVINE) | BDBM50036847 (CHEMBL54266 | N-{3-[(5-Methoxy-chroman-3-yl)-propy...) | KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans Curated by ChEMBL | Assay Description Binding affinity against alpha-2 adrenergic receptor in calf frontal cortex | J Med Chem 37: 1779-93 (1994) BindingDB Entry DOI: 10.7270/Q2HH6KPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2a (5-HT2a) receptor (BOVINE) | BDBM50036847 (CHEMBL54266 | N-{3-[(5-Methoxy-chroman-3-yl)-propy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans Curated by ChEMBL | Assay Description Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex | J Med Chem 37: 1779-93 (1994) BindingDB Entry DOI: 10.7270/Q2HH6KPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (BOVINE) | BDBM50036847 (CHEMBL54266 | N-{3-[(5-Methoxy-chroman-3-yl)-propy...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans Curated by ChEMBL | Assay Description Binding affinity against D2 receptor in calf caudate nucleus | J Med Chem 37: 1779-93 (1994) BindingDB Entry DOI: 10.7270/Q2HH6KPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DRD1 (BOVINE) | BDBM50036847 (CHEMBL54266 | N-{3-[(5-Methoxy-chroman-3-yl)-propy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans Curated by ChEMBL | Assay Description Binding affinity towards dopamine receptor D1 in calf striatum | J Med Chem 37: 1779-93 (1994) BindingDB Entry DOI: 10.7270/Q2HH6KPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50036847 (CHEMBL54266 | N-{3-[(5-Methoxy-chroman-3-yl)-propy...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans Curated by ChEMBL | Assay Description Binding affinity against 5-hydroxytryptamine 1A (5-HT1A) receptor in rat hippocampus membranes | J Med Chem 37: 1779-93 (1994) BindingDB Entry DOI: 10.7270/Q2HH6KPQ | |||||||||||
More data for this Ligand-Target Pair |