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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cerebral cortex alpha adrenergic receptor' and Ligand = 'BDBM50033111'   
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
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
KEGG

UniProtKB/SwissProt

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CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor from bovine clone


J Med Chem 38: 3415-44 (1995)


Article DOI: 10.1021/jm00018a001
BindingDB Entry DOI: 10.7270/Q20G3J6W
More data for this
Ligand-Target Pair