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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50118702'   
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


(Rattus norvegicus (Rat))
BDBM50118702
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...)
Show SMILES COc1ccc(OC)c(c1)C(O)CN
Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
KEGG

UniProtKB/SwissProt

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Article
PubMed
1.66E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1D adrenergic receptor of rat clone in radioligand binding assay


J Med Chem 47: 3220-35 (2004)


Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118702
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...)
Show SMILES COc1ccc(OC)c(c1)C(O)CN
Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
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CHEMBL
MCE
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Article
1.66E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Rattus norvegicus (rat) alpha1D adrenoreceptor by radioligand displacement assay


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118702
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...)
Show SMILES COc1ccc(OC)c(c1)C(O)CN
Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
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CHEMBL
MCE
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UniChem

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PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cloned Alpha-1D adrenergic receptor; value ranges from (1.5 - 1.9)


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118702
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...)
Show SMILES COc1ccc(OC)c(c1)C(O)CN
Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
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CHEMBL
MCE
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Article
n/an/an/an/a 1.86E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at alpha1D adrenoreceptor in Rattus norvegicus (rat) aorta


Citation and Details

Article DOI: 10.1007/s00044-004-0020-z
BindingDB Entry DOI: 10.7270/Q2PZ5CQB
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118702
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...)
Show SMILES COc1ccc(OC)c(c1)C(O)CN
Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
KEGG

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CHEMBL
MCE
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PC sid
UniChem

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PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Effective concentration of the compound was determined in vitro against rat aorta Alpha-1D adrenergic receptor;* indicates EC50 < 15% at a concentrat...


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair