BindingDB PrimarySearch

BDBM248056 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]piperazine::Adoprazine

SMILES: Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cccc3OCCOc23)c1

InChI Key: InChIKey=IUVSEUFHPNITEQ-UHFFFAOYSA-N

Data: 13 KI 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 248056
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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				J Med Chem 50: 5103-8 (2007) Article DOI: 10.1021/jm070516u BindingDB Entry DOI: 10.7270/Q20G3NW3
Solvay Pharma Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]OH-DPAT from rat cortex 5HT1A receptor				J Med Chem 50: 865-76 (2007) Article DOI: 10.1021/jm061180b BindingDB Entry DOI: 10.7270/Q2ZS309D
Pierre Fabre Research Center Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2 receptor short form expressed in CHO cells				J Med Chem 50: 5103-8 (2007) Article DOI: 10.1021/jm070516u BindingDB Entry DOI: 10.7270/Q20G3NW3
Solvay Pharma Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]YM-09151-2 from rat striatum D2 receptor				J Med Chem 50: 865-76 (2007) Article DOI: 10.1021/jm061180b BindingDB Entry DOI: 10.7270/Q2ZS309D
Pierre Fabre Research Center Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells				J Med Chem 50: 5103-8 (2007) Article DOI: 10.1021/jm070516u BindingDB Entry DOI: 10.7270/Q20G3NW3
Solvay Pharma Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	8.40	-11.0	n/a	n/a	n/a	n/a	n/a	7.4	25
King Fahd University of Petroleum & Minerals					Assay Description Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Università di L'Aquil...				J Enzyme Inhib Med Chem 29: 281-91 (2014) Article DOI: 10.3109/14756366.2013.776556 BindingDB Entry DOI: 10.7270/Q2SN07WV
King Fahd University of Petroleum & Minerals					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	8.64	-11.4	n/a	n/a	n/a	n/a	n/a	7.4	37
King Fahd University of Petroleum & Minerals					Assay Description Human-cloned 5-HT1A serotonin receptors stably expressed in HEK293-EBNA cells (Perkin-Elmer, Waltham, MA) were radiolabeled with 1.0nM [3H]-8-OH-DPAT...				J Enzyme Inhib Med Chem 29: 281-91 (2014) Article DOI: 10.3109/14756366.2013.776556 BindingDB Entry DOI: 10.7270/Q2SN07WV
King Fahd University of Petroleum & Minerals					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D4.4 receptor expressed in CHO cells				J Med Chem 50: 5103-8 (2007) Article DOI: 10.1021/jm070516u BindingDB Entry DOI: 10.7270/Q20G3NW3
Solvay Pharma Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]LSD from 5HT2B receptor expressed in CHO cells				J Med Chem 50: 5103-8 (2007) Article DOI: 10.1021/jm070516u BindingDB Entry DOI: 10.7270/Q20G3NW3
Solvay Pharma Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells				J Med Chem 50: 5103-8 (2007) Article DOI: 10.1021/jm070516u BindingDB Entry DOI: 10.7270/Q20G3NW3
Solvay Pharma Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells				J Med Chem 50: 5103-8 (2007) Article DOI: 10.1021/jm070516u BindingDB Entry DOI: 10.7270/Q20G3NW3
Solvay Pharma Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from adrenergic alpha1 receptor in rat cerebral cortex				J Med Chem 50: 5103-8 (2007) Article DOI: 10.1021/jm070516u BindingDB Entry DOI: 10.7270/Q20G3NW3
Solvay Pharma Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	724	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from rat cortex 5HT2A receptor				J Med Chem 50: 865-76 (2007) Article DOI: 10.1021/jm061180b BindingDB Entry DOI: 10.7270/Q2ZS309D
Pierre Fabre Research Center Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM248056 (1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.90	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Agonist activity at human 5HT1A receptor in HeLa cells assessed as stimulation of [35S]GTP-gamma-S binding				J Med Chem 50: 865-76 (2007) Article DOI: 10.1021/jm061180b BindingDB Entry DOI: 10.7270/Q2ZS309D
Pierre Fabre Research Center Curated by ChEMBL					More data for this Ligand-Target Pair