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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50099320'   
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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50099320
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1
Show InChI InChI=1S/C19H22N4O3S/c1-26-16-5-3-2-4-15(16)22-10-7-21(8-11-22)9-12-23-18(24)14-6-13-27-17(14)20-19(23)25/h2-6,13H,7-12H2,1H3,(H,20,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.229n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099320
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1
Show InChI InChI=1S/C19H22N4O3S/c1-26-16-5-3-2-4-15(16)22-10-7-21(8-11-22)9-12-23-18(24)14-6-13-27-17(14)20-19(23)25/h2-6,13H,7-12H2,1H3,(H,20,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.308n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair