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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(Mus musculus (Mouse))
BDBM186927
PNG
(US9079895, 19s)
Show SMILES C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12
Show InChI InChI=1/C21H26N2O2/c1-2-7-19(8-3-1)25-17-20-16-22(14-15-24-20)12-13-23-11-10-18-6-4-5-9-21(18)23/h1-9,20H,10-17H2/t20-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
2.72E+3n/an/an/an/an/an/an/an/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Mus musculus (Mouse))
BDBM186937
PNG
(US9079895, 25s)
Show SMILES COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
8.35E+3n/an/an/an/an/an/an/an/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Mus musculus (Mouse))
BDBM186935
PNG
(US9079895, 23s)
Show SMILES Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1
Show InChI InChI=1/C21H25ClN2O2/c22-18-5-3-6-19(14-18)26-16-20-15-23(12-13-25-20)10-11-24-9-8-17-4-1-2-7-21(17)24/h1-7,14,20H,8-13,15-16H2/t20-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
9.04E+3n/an/an/an/an/an/an/an/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)

More data for this
Ligand-Target Pair