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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alpha-1B adrenergic receptor' and Ligand = 'BDBM50487287'   
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-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50487287
PNG
((+)-CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@H]12)C(=O)c1ccco1 |r|
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
0.135n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]prazosin from Homo sapiens (human) alpha1B adrenergic receptor


Citation and Details

Article DOI: 10.1007/s00044-004-0024-8
BindingDB Entry DOI: 10.7270/Q29S1TXR
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Rattus norvegicus (rat))
BDBM50487287
PNG
((+)-CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@H]12)C(=O)c1ccco1 |r|
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17-/m0/s1
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
0.209n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to alpha1B adrenoreceptor in Rattus norvegicus (rat) liver


Citation and Details

Article DOI: 10.1007/s00044-004-0024-8
BindingDB Entry DOI: 10.7270/Q29S1TXR
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50487287
PNG
((+)-CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@H]12)C(=O)c1ccco1 |r|
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
0.692n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to alpha1B adrenoreceptor (unknown origin) by radioligand binding assay


Citation and Details

Article DOI: 10.1007/s00044-004-0024-8
BindingDB Entry DOI: 10.7270/Q29S1TXR
More data for this
Ligand-Target Pair