BDBM50036919 2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-3,4-dihydro-2H-isoquinolin-1-one::CHEMBL86013
SMILES: O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)CCc2ccccc12
InChI Key: InChIKey=XUBYSOXUXGRFJY-UHFFFAOYSA-N
Data: 2 IC50
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)) | BDBM50036919 (2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Company Curated by ChEMBL | Assay Description In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin | J Med Chem 37: 2552-63 (1994) BindingDB Entry DOI: 10.7270/Q2G15ZWF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50036919 (2-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Company Curated by ChEMBL | Assay Description In vitro binding affinity was measured by displacement of [3H]- raclopride from D2 receptor isolated from the striata of male Dawley rats | J Med Chem 37: 2552-63 (1994) BindingDB Entry DOI: 10.7270/Q2G15ZWF | |||||||||||
More data for this Ligand-Target Pair |