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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 = 'BDBM50004769'   
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


(Homo sapiens (Human))
BDBM50004769
PNG
(CHEMBL2312537)
Show SMILES C(COc1ccccc1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]Prazosin from human recombinant alpha 1D adrenergic receptor expressed in CHO cells incubated for 30 mins by radioligand competit...


Eur J Med Chem 168: 461-473 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.056
BindingDB Entry DOI: 10.7270/Q2WM1HT7
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50004769
PNG
(CHEMBL2312537)
Show SMILES C(COc1ccccc1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins


J Med Chem 56: 584-8 (2013)


Article DOI: 10.1021/jm301525w
BindingDB Entry DOI: 10.7270/Q2474CDQ
More data for this
Ligand-Target Pair