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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 = 'BDBM50103896'   
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))
BDBM50103896
PNG
(CHEMBL3343975)
Show SMILES C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12
Show InChI InChI=1S/C20H18N4/c1-3-7-17-15(5-1)19(9-11-21-17)23-13-14-24-20-10-12-22-18-8-4-2-6-16(18)20/h1-12H,13-14H2,(H,21,23)(H,22,24)
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PC cid
PC sid
UniChem
Article
PubMed
26n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1A adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103896
PNG
(CHEMBL3343975)
Show SMILES C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12
Show InChI InChI=1S/C20H18N4/c1-3-7-17-15(5-1)19(9-11-21-17)23-13-14-24-20-10-12-22-18-8-4-2-6-16(18)20/h1-12H,13-14H2,(H,21,23)(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
26n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1A adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair