BDBM50004813 8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one::8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one (N-methylspiperone,NMSP)::CHEMBL267932
SMILES: CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
InChI Key: InChIKey=QHJLPOSPWKZACG-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(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50004813 (8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phe...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.118 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone | J Med Chem 35: 423-30 (1992) BindingDB Entry DOI: 10.7270/Q2B85725 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50004813 (8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phe...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.133 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis | J Med Chem 57: 4962-8 (2014) Article DOI: 10.1021/jm401798r BindingDB Entry DOI: 10.7270/Q2BV7J5V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50004813 (8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phe...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.265 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis | J Med Chem 57: 4962-8 (2014) Article DOI: 10.1021/jm401798r BindingDB Entry DOI: 10.7270/Q2BV7J5V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50004813 (8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phe...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand | J Med Chem 35: 423-30 (1992) BindingDB Entry DOI: 10.7270/Q2B85725 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50004813 (8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phe...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | 0.0970 | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Evaluated in vivo for the affinity towards Dopamine receptor D2 of rat striatal tissue | J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50004813 (8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phe...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | 0.0970 | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Affinity constant of compound was evaluated in human brain | J Med Chem 31: 1039-43 (1988) BindingDB Entry DOI: 10.7270/Q2C24X1V | |||||||||||
More data for this Ligand-Target Pair |