BDBM50344630 CHEMBL1779058::N-(4-(4-Fluoro)butyrophenone)-4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]dodecan-3-ol
SMILES: OC12C3C4C5C3C(C3C5CC4C13)N2CCCC(=O)c1ccc(F)cc1
InChI Key: InChIKey=HJKLOGARPBXZTP-UHFFFAOYSA-N
Data: 8 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 |
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Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50344630 (CHEMBL1779058 | N-(4-(4-Fluoro)butyrophenone)-4-az...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenate | Bioorg Med Chem Lett 21: 3622-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.098 BindingDB Entry DOI: 10.7270/Q2ZS2WTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50344630 (CHEMBL1779058 | N-(4-(4-Fluoro)butyrophenone)-4-az...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney Curated by ChEMBL | Assay Description Displacement of [3H]N-methylspiperone from human D4 receptor expressed in HEK cells | Bioorg Med Chem Lett 21: 3622-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.098 BindingDB Entry DOI: 10.7270/Q2ZS2WTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (Homo sapiens (Human)) | BDBM50344630 (CHEMBL1779058 | N-(4-(4-Fluoro)butyrophenone)-4-az...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney Curated by ChEMBL | Assay Description Displacement of [3H]SCH233930 from human D1 receptor expressed in HEK cells | Bioorg Med Chem Lett 21: 3622-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.098 BindingDB Entry DOI: 10.7270/Q2ZS2WTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50344630 (CHEMBL1779058 | N-(4-(4-Fluoro)butyrophenone)-4-az...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney Curated by ChEMBL | Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEK cells | Bioorg Med Chem Lett 21: 3622-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.098 BindingDB Entry DOI: 10.7270/Q2ZS2WTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50344630 (CHEMBL1779058 | N-(4-(4-Fluoro)butyrophenone)-4-az...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney Curated by ChEMBL | Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK cells | Bioorg Med Chem Lett 21: 3622-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.098 BindingDB Entry DOI: 10.7270/Q2ZS2WTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50344630 (CHEMBL1779058 | N-(4-(4-Fluoro)butyrophenone)-4-az...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 2.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney Curated by ChEMBL | Assay Description Antagonist activity at histamine H1 receptor | Bioorg Med Chem Lett 21: 3622-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.098 BindingDB Entry DOI: 10.7270/Q2ZS2WTH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50344630 (CHEMBL1779058 | N-(4-(4-Fluoro)butyrophenone)-4-az...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 2.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney Curated by ChEMBL | Assay Description Binding affinity to Histamine H1 receptor | Bioorg Med Chem Lett 22: 6053-8 (2012) Article DOI: 10.1016/j.bmcl.2012.08.046 BindingDB Entry DOI: 10.7270/Q2KH0PGM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1B) dopamine receptor (Homo sapiens (Human)) | BDBM50344630 (CHEMBL1779058 | N-(4-(4-Fluoro)butyrophenone)-4-az...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney Curated by ChEMBL | Assay Description Displacement of [3H]SCH233930 from human D5 receptor expressed in HEK cells | Bioorg Med Chem Lett 21: 3622-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.098 BindingDB Entry DOI: 10.7270/Q2ZS2WTH | |||||||||||
More data for this Ligand-Target Pair |