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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor' and Ligand = 'BDBM50007692'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007692
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2
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PubMed
n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1 adrenergic receptor of rat cerebral cortex with [3H]WB-4101


J Med Chem 34: 3316-28 (1991)


Article DOI: 10.1021/jm00115a024
BindingDB Entry DOI: 10.7270/Q29Z93VX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50007692
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 47n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101


J Med Chem 29: 359-69 (1986)


Article DOI: 10.1021/jm00153a010
BindingDB Entry DOI: 10.7270/Q24X58C9
More data for this
Ligand-Target Pair