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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50027502'   
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


(Rattus norvegicus (Rat))
BDBM50027502
PNG
(4-(2-Amino-1-hydroxy-propyl)-benzene-1,2-diol | Al...)
Show SMILES CC(N)C(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3
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KEGG
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PubMed
7.70n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50027502
PNG
(4-(2-Amino-1-hydroxy-propyl)-benzene-1,2-diol | Al...)
Show SMILES CC(N)C(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3
PDB

KEGG

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PubMed
16n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50027502
PNG
(4-(2-Amino-1-hydroxy-propyl)-benzene-1,2-diol | Al...)
Show SMILES CC(N)C(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
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PubMed
2.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50027502
PNG
(4-(2-Amino-1-hydroxy-propyl)-benzene-1,2-diol | Al...)
Show SMILES CC(N)C(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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KEGG
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PubMed
6.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50027502
PNG
(4-(2-Amino-1-hydroxy-propyl)-benzene-1,2-diol | Al...)
Show SMILES CC(N)C(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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KEGG
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PubMed
9.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50027502
PNG
(4-(2-Amino-1-hydroxy-propyl)-benzene-1,2-diol | Al...)
Show SMILES CC(N)C(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>7.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair