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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50068819'   
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-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068819
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
Show InChI InChI=1S/C32H38N4O7/c1-21-26(28(27(22(2)34-21)30(38)42-3)23-11-13-25(14-12-23)36(40)41)29(37)33-17-8-18-35-19-15-32(16-20-35,31(39)43-4)24-9-6-5-7-10-24/h5-7,9-14,27-28H,8,15-20H2,1-4H3,(H,33,37)
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PC sid
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Similars

Article
PubMed
3.58n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068819
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
Show InChI InChI=1S/C32H38N4O7/c1-21-26(28(27(22(2)34-21)30(38)42-3)23-11-13-25(14-12-23)36(40)41)29(37)33-17-8-18-35-19-15-32(16-20-35,31(39)43-4)24-9-6-5-7-10-24/h5-7,9-14,27-28H,8,15-20H2,1-4H3,(H,33,37)
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.60n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair