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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM81457'   
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))
BDBM81457
PNG
(CAS_7762-32-5 | Dibozane | NSC_94342)
Show SMILES C(C1COc2ccccc2O1)N1CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H26N2O4/c1-3-7-21-19(5-1)25-15-17(27-21)13-23-9-11-24(12-10-23)14-18-16-26-20-6-2-4-8-22(20)28-18/h1-8,17-18H,9-16H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
19n/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))
BDBM81457
PNG
(CAS_7762-32-5 | Dibozane | NSC_94342)
Show SMILES C(C1COc2ccccc2O1)N1CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H26N2O4/c1-3-7-21-19(5-1)25-15-17(27-21)13-23-9-11-24(12-10-23)14-18-16-26-20-6-2-4-8-22(20)28-18/h1-8,17-18H,9-16H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
100n/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