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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 = 'BDBM81454'   
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))
BDBM81454
PNG
(CAS_3087850 | NSC_3087850 | St-600)
Show SMILES COC(CNC1CCc2cc(OC)c(OC)cc2C1)c1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-23-19-12-16-9-10-18(11-17(16)13-20(19)24-2)22-14-21(25-3)15-7-5-4-6-8-15/h4-8,12-13,18,21-22H,9-11,14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
7.60n/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))
BDBM81454
PNG
(CAS_3087850 | NSC_3087850 | St-600)
Show SMILES COC(CNC1CCc2cc(OC)c(OC)cc2C1)c1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-23-19-12-16-9-10-18(11-17(16)13-20(19)24-2)22-14-21(25-3)15-7-5-4-6-8-15/h4-8,12-13,18,21-22H,9-11,14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
620n/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