BindingDB PrimarySearch

BDBM50061255 1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2.1]oct-8-yl)-butan-1-one::1-(4-fluorophenyl)-4-(3-phenyl-8-aza-bicyclo[3.2.1]octan-8-yl)butan-1-one::CHEMBL340816::CHEMBL553417

SMILES: Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1

InChI Key: InChIKey=LECUUDCCVOYUHG-UHFFFAOYSA-N

Data: 12 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50061255
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Sigma-1 binding assay was done in guinea pig membranes by labelling the binding site with [3H]-(+)-pentazocine				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity of the compound for serotonin transporter was determined in rat cortical membrane.				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	106	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
Florida A&M University Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	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 for dopamine D2 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
Florida A& M University Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	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
Florida A&M University Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity for dopamine transporter was determined in rat striatal membrane.				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	177	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
Florida A&M University Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	177	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 for dopamine D4 receptor				Bioorg Med Chem Lett 14: 5739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.09.046 BindingDB Entry DOI: 10.7270/Q28K79VJ
Florida A& M University Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	414	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
Florida A&M University Curated by ChEMBL					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Homo sapiens (Human))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	594	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles				J Med Chem 40: 3905-14 (1998) Article DOI: 10.1021/jm970326r BindingDB Entry DOI: 10.7270/Q2KK99WJ
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	974	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
Florida A&M University Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50061255 (1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07E+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
Florida A&M University Curated by ChEMBL					More data for this Ligand-Target Pair