SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 391.4
BDBM50143664

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 10 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50143664 (8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description Binding affinity to the adrenergic receptor alpha-1D of rat aorta				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
Recordati s.p.a. Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50143664 (8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Binding affinity for human Alpha-1D adrenergic receptor				J Med Chem 48: 3076-9 (2005) Article DOI: 10.1021/jm0491391 BindingDB Entry DOI: 10.7270/Q2445M0K
Lundbeck Research USA, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50143664 (8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description Binding affinity constant against alpha-1B adrenergic receptor of guinea pig spleen				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
Recordati s.p.a. Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50143664 (8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Binding affinity for rat Dopamine receptor D3				J Med Chem 48: 3076-9 (2005) Article DOI: 10.1021/jm0491391 BindingDB Entry DOI: 10.7270/Q2445M0K
Lundbeck Research USA, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50143664 (8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1A receptor				J Med Chem 48: 3076-9 (2005) Article DOI: 10.1021/jm0491391 BindingDB Entry DOI: 10.7270/Q2445M0K
Lundbeck Research USA, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50143664 (8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Binding affinity for human Alpha-1B adrenergic receptor				J Med Chem 48: 3076-9 (2005) Article DOI: 10.1021/jm0491391 BindingDB Entry DOI: 10.7270/Q2445M0K
Lundbeck Research USA, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50143664 (8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H]-8-hydroxy-2-(di-n-propylamine) tetraline [3H]-8-OH-DPAT) as radioli...				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
Recordati s.p.a. Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50143664 (8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Binding affinity for human Dopamine receptor D2				J Med Chem 48: 3076-9 (2005) Article DOI: 10.1021/jm0491391 BindingDB Entry DOI: 10.7270/Q2445M0K
Lundbeck Research USA, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50143664 (8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-1A adrenergic receptor through displacement of [3H]-prazosin in epididymal rat vas deferens.				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
Recordati s.p.a. Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50143664 (8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Binding affinity for human Alpha-1A adrenergic receptor				J Med Chem 48: 3076-9 (2005) Article DOI: 10.1021/jm0491391 BindingDB Entry DOI: 10.7270/Q2445M0K
Lundbeck Research USA, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair