BDBM50002334 1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butan-1-one::4-[4-(2-Pyrimidine)piperazin-1-yl]-1-(4-fluorophenyl)-butan-1-one::CHEMBL140872
SMILES: Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1
InChI Key: InChIKey=WEVJMQOBCRCIPF-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 |
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Dopamine receptor (RAT) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University Curated by ChEMBL | Assay Description Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting | Bioorg Med Chem 20: 1291-7 (2012) Article DOI: 10.1016/j.bmc.2011.12.019 BindingDB Entry DOI: 10.7270/Q2Q52Q26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University Curated by ChEMBL | Assay Description Binding affinity to human cloned dopamine D4 receptor | Bioorg Med Chem 16: 7291-301 (2008) Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University Curated by ChEMBL | Assay Description Binding affinity to human cloned 5HT2A receptor | Bioorg Med Chem 16: 7291-301 (2008) Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University Curated by ChEMBL | Assay Description Displacement of [3H]DOI from human 5HT2A receptor after 1 hr by liquid scintillation counting | Bioorg Med Chem 20: 1291-7 (2012) Article DOI: 10.1016/j.bmc.2011.12.019 BindingDB Entry DOI: 10.7270/Q2Q52Q26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 30.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University Curated by ChEMBL | Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor by liquid scintillation counting | Bioorg Med Chem 20: 1291-7 (2012) Article DOI: 10.1016/j.bmc.2011.12.019 BindingDB Entry DOI: 10.7270/Q2Q52Q26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 30.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University Curated by ChEMBL | Assay Description Binding affinity to human cloned 5HT1A receptor | Bioorg Med Chem 16: 7291-301 (2008) Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2C adrenergic receptor (Homo sapiens (Human)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University Curated by ChEMBL | Assay Description Displacement of [3H]clonidine from human Alpha-2C receptor by liquid scintillation counting | Bioorg Med Chem 20: 1291-7 (2012) Article DOI: 10.1016/j.bmc.2011.12.019 BindingDB Entry DOI: 10.7270/Q2Q52Q26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University Curated by ChEMBL | Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting | Bioorg Med Chem 20: 1291-7 (2012) Article DOI: 10.1016/j.bmc.2011.12.019 BindingDB Entry DOI: 10.7270/Q2Q52Q26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University Curated by ChEMBL | Assay Description Binding affinity to human cloned dopamine D2 receptor | Bioorg Med Chem 16: 7291-301 (2008) Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 244 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University Curated by ChEMBL | Assay Description Binding affinity to human cloned dopamine D3 receptor | Bioorg Med Chem 16: 7291-301 (2008) Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 244 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University Curated by ChEMBL | Assay Description Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting | Bioorg Med Chem 20: 1291-7 (2012) Article DOI: 10.1016/j.bmc.2011.12.019 BindingDB Entry DOI: 10.7270/Q2Q52Q26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 912 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University Curated by ChEMBL | Assay Description Binding affinity to human cloned histamine H1 receptor | Bioorg Med Chem 16: 7291-301 (2008) Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 912 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University Curated by ChEMBL | Assay Description Displacement of [3H]pyrilamine from human H1 receptor by liquid scintillation counting | Bioorg Med Chem 20: 1291-7 (2012) Article DOI: 10.1016/j.bmc.2011.12.019 BindingDB Entry DOI: 10.7270/Q2Q52Q26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University Curated by ChEMBL | Assay Description Binding affinity to human cloned 5HT2C receptor | Bioorg Med Chem 16: 7291-301 (2008) Article DOI: 10.1016/j.bmc.2008.06.030 BindingDB Entry DOI: 10.7270/Q2ZP45XW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida A&M University Curated by ChEMBL | Assay Description Displacement of [3H]mesulergine from rat 5HT2C receptor by liquid scintillation counting | Bioorg Med Chem 20: 1291-7 (2012) Article DOI: 10.1016/j.bmc.2011.12.019 BindingDB Entry DOI: 10.7270/Q2Q52Q26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro | J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 679 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2 | J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50002334 (1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Displacement of (+)-[3H]-3-PPP from rat cortical sigma site | J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV | |||||||||||
More data for this Ligand-Target Pair |