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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50122803'   
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


(Homo sapiens (Human))
BDBM50122803
PNG
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)
Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1
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PubMed
1.30n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1D adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50122803
PNG
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)
Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50122803
PNG
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)
Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50122803
PNG
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)
Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Alpha-1D adrenergic receptor.


J Med Chem 46: 2877-94 (2003)


Article DOI: 10.1021/jm0307741
BindingDB Entry DOI: 10.7270/Q2G73FFQ
More data for this
Ligand-Target Pair