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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 = 'BDBM50473681'   
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))
BDBM50473681
PNG
(CHEMBL540035)
Show SMILES Cl.CCSc1ccccc1NCC1=NCCN1 |t:12|
Show InChI InChI=1S/C12H17N3S/c1-2-16-11-6-4-3-5-10(11)15-9-12-13-7-8-14-12/h3-6,15H,2,7-9H2,1H3,(H,13,14)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
58n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to human Alpha-1D adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50473681
PNG
(CHEMBL540035)
Show SMILES Cl.CCSc1ccccc1NCC1=NCCN1 |t:12|
Show InChI InChI=1S/C12H17N3S/c1-2-16-11-6-4-3-5-10(11)15-9-12-13-7-8-14-12/h3-6,15H,2,7-9H2,1H3,(H,13,14)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 51n/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Agonist potency at Alpha-1D adrenergic receptor assayed in rat-1 fibroblasts expressing human Alpha-1D adrenergic receptor


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair