BDBM50051565 4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]-benzenesulfonamide::4-[4-(2-Isochroman-1-yl-ethyl)-piperazin-1-yl]-benzenesulfonamide::CHEMBL69759::Sonepiprazole
SMILES: NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1
InChI Key: InChIKey=WNUQCGWXPNGORO-NRFANRHFSA-N
Data: 12 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States. Curated by ChEMBL | Assay Description Inhibition of human dopamine D4 receptor | J Med Chem 60: 7233-7243 (2017) Article DOI: 10.1021/acs.jmedchem.7b00151 BindingDB Entry DOI: 10.7270/Q2P84FBZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine receptor (RAT) | BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) | Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D4 expressed in cultured cells or from rat whole brain. | J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States. Curated by ChEMBL | Assay Description Inhibition of alpha2A adrenergic receptor (unknown origin) | J Med Chem 60: 7233-7243 (2017) Article DOI: 10.1021/acs.jmedchem.7b00151 BindingDB Entry DOI: 10.7270/Q2P84FBZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States. Curated by ChEMBL | Assay Description Inhibition of serotonin 5-HT2 receptor (unknown origin) | J Med Chem 60: 7233-7243 (2017) Article DOI: 10.1021/acs.jmedchem.7b00151 BindingDB Entry DOI: 10.7270/Q2P84FBZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States. Curated by ChEMBL | Assay Description Inhibition of serotonin 5-HT1A receptor (unknown origin) | J Med Chem 60: 7233-7243 (2017) Article DOI: 10.1021/acs.jmedchem.7b00151 BindingDB Entry DOI: 10.7270/Q2P84FBZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States. Curated by ChEMBL | Assay Description Inhibition of histamine H1 receptor (unknown origin) | J Med Chem 60: 7233-7243 (2017) Article DOI: 10.1021/acs.jmedchem.7b00151 BindingDB Entry DOI: 10.7270/Q2P84FBZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >2.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States. Curated by ChEMBL | Assay Description Inhibition of human dopamine D3 receptor | J Med Chem 60: 7233-7243 (2017) Article DOI: 10.1021/acs.jmedchem.7b00151 BindingDB Entry DOI: 10.7270/Q2P84FBZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description Binding affinity of [3H]-8-OH-DPAT towards 5-hydroxytryptamine 1A receptor in cloned mammalian receptor expressed in cultured cells or from rat whole... | J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description Binding affinity of [3H]-U-86,170 towards Dopamine receptor D2 in cloned mammalian receptor expressed in cultured cells or from rat whole brain | J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States. Curated by ChEMBL | Assay Description Inhibition of human dopamine D2 receptor | J Med Chem 60: 7233-7243 (2017) Article DOI: 10.1021/acs.jmedchem.7b00151 BindingDB Entry DOI: 10.7270/Q2P84FBZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Rattus norvegicus (Rat)) | BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description Binding affinity of [3H]-Spiperone towards Dopamine receptor D3 in cloned mammalian receptor expressed in cultured cells or from rat whole brain. | J Med Chem 39: 2435-7 (1996) Article DOI: 10.1021/jm960084f BindingDB Entry DOI: 10.7270/Q2H1314Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (Homo sapiens (Human)) | BDBM50051565 (4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >8.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States. Curated by ChEMBL | Assay Description Inhibition of human dopamine D1 receptor | J Med Chem 60: 7233-7243 (2017) Article DOI: 10.1021/acs.jmedchem.7b00151 BindingDB Entry DOI: 10.7270/Q2P84FBZ | |||||||||||
More data for this Ligand-Target Pair |