BDBM50002107 3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin-1-yl]-butyl}-2,5,5-trimethyl-thiazolidin-4-one::CHEMBL89934
SMILES: CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12
InChI Key: InChIKey=IWOQWCKSTOAOMQ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc. Curated by ChEMBL | Assay Description Binding affinity against human Dopamine receptor D4.2 in CHO cells | J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc. Curated by ChEMBL | Assay Description Binding affinity towards human 5-HT2A receptor in BEK cells | J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Compound was evaluated for in vitro binding affinity towards serotonin 5-hydroxytryptamine 2 receptor in rat cortex using [3H]- spiperone as radiolig... | J Med Chem 35: 2712-5 (1992) BindingDB Entry DOI: 10.7270/Q2TH8KMC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Compound was evaluated for in vitro binding affinity towards serotonin 5-hydroxytryptamine 1A receptor receptor in rat hippocampus using [3H]-8-OH-D... | J Med Chem 35: 2712-5 (1992) BindingDB Entry DOI: 10.7270/Q2TH8KMC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Compound was evaluated for in vitro binding affinity towards Dopamine receptor D2 in rat striatum using [3H]- spiperone as radioligand | J Med Chem 35: 2712-5 (1992) BindingDB Entry DOI: 10.7270/Q2TH8KMC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (RAT) | BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Compound was evaluated for in vitro binding affinity towards Dopamine receptor D1 in striatum using [3H]- SCH 23390 as radioligand | J Med Chem 35: 2712-5 (1992) BindingDB Entry DOI: 10.7270/Q2TH8KMC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc. Curated by ChEMBL | Assay Description Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand | J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc. Curated by ChEMBL | Assay Description Inhibitory concentration against human 5-HT2A receptor in BEK cells | J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc. Curated by ChEMBL | Assay Description Binding affinity towards Dopamine receptor D2 was determined in rat striatum using [3H]- spiperone as radioligand | J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50002107 (3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel, Inc. Curated by ChEMBL | Assay Description Inhibitory concentration against human Dopamine receptor D4.2 in CHO cells | J Med Chem 39: 4044-57 (1996) Article DOI: 10.1021/jm960268u BindingDB Entry DOI: 10.7270/Q2ST7QH3 | |||||||||||
More data for this Ligand-Target Pair |