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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50027060'   
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))
BDBM50027060
PNG
(2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...)
Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
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n/an/an/an/a 13n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human alpha-1A receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50027060
PNG
(2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...)
Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
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n/an/an/an/a 13n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist potency against cloned human alpha 1A adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50027060
PNG
(2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...)
Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
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n/an/an/an/a 13n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of human alpha-1A adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50027060
PNG
(2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...)
Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
PDB

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PubMed
n/an/an/an/a 13n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair