BDBM50019458 CHEMBL45063::N-[4-(2-Fluoro-benzoyl)-2,5-dimethyl-2H-pyrazol-3-yl]-2-[3-(2-methyl-piperidin-1-yl)-propylamino]-acetamide
SMILES: CC1CCCCN1CCCNCC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
InChI Key: InChIKey=QUTKAZRSRKFOMI-UHFFFAOYSA-N
Data: 10 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 |
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Beta-1 adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50019458 (CHEMBL45063 | N-[4-(2-Fluoro-benzoyl)-2,5-dimethyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-DHA | J Med Chem 29: 1628-37 (1986) BindingDB Entry DOI: 10.7270/Q2319TVF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Rattus norvegicus) | BDBM50019458 (CHEMBL45063 | N-[4-(2-Fluoro-benzoyl)-2,5-dimethyl...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against beta-2 adrenergic receptor in rat brain using [3H]-DHA | J Med Chem 29: 1628-37 (1986) BindingDB Entry DOI: 10.7270/Q2319TVF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50019458 (CHEMBL45063 | N-[4-(2-Fluoro-benzoyl)-2,5-dimethyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity towards rat brain adenosine A1 receptor using [3H]- CHA | J Med Chem 29: 1628-37 (1986) BindingDB Entry DOI: 10.7270/Q2319TVF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 1 (5-HT1) receptor (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...) | BDBM50019458 (CHEMBL45063 | N-[4-(2-Fluoro-benzoyl)-2,5-dimethyl...) | PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against serotonin-1 receptor in rat brain using [3H]5-HT | J Med Chem 29: 1628-37 (1986) BindingDB Entry DOI: 10.7270/Q2319TVF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor (RAT) | BDBM50019458 (CHEMBL45063 | N-[4-(2-Fluoro-benzoyl)-2,5-dimethyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against Muscarinic acetylcholine receptor in rat brain using [3H]- QNB | J Med Chem 29: 1628-37 (1986) BindingDB Entry DOI: 10.7270/Q2319TVF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50019458 (CHEMBL45063 | N-[4-(2-Fluoro-benzoyl)-2,5-dimethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against dopamine receptor in rat striatal membrane using [3H]haloperidol | J Med Chem 29: 1628-37 (1986) BindingDB Entry DOI: 10.7270/Q2319TVF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50019458 (CHEMBL45063 | N-[4-(2-Fluoro-benzoyl)-2,5-dimethyl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against alpha-1 adrenergic receptor in rat brain using [3H]- WB-4101 | J Med Chem 29: 1628-37 (1986) BindingDB Entry DOI: 10.7270/Q2319TVF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM50019458 (CHEMBL45063 | N-[4-(2-Fluoro-benzoyl)-2,5-dimethyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- clonidine | J Med Chem 29: 1628-37 (1986) BindingDB Entry DOI: 10.7270/Q2319TVF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50019458 (CHEMBL45063 | N-[4-(2-Fluoro-benzoyl)-2,5-dimethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity for dopamine receptor in rat striatal membrane using [3H]haloperidol as radioligand | J Med Chem 29: 1628-37 (1986) BindingDB Entry DOI: 10.7270/Q2319TVF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50019458 (CHEMBL45063 | N-[4-(2-Fluoro-benzoyl)-2,5-dimethyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity towards 5-hydroxytryptamine 2 receptor in rat brain using [3H]spiroperidol | J Med Chem 29: 1628-37 (1986) BindingDB Entry DOI: 10.7270/Q2319TVF | |||||||||||
More data for this Ligand-Target Pair |