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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 = 'BDBM81980'   
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))
BDBM81980
PNG
(Butanserin | CAS_87051-46-5 | NSC_65652)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C24H26FN3O3/c25-19-9-7-17(8-10-19)22(29)18-11-15-27(16-12-18)13-3-4-14-28-23(30)20-5-1-2-6-21(20)26-24(28)31/h1-2,5-10,18H,3-4,11-16H2,(H,26,31)
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Similars

Article
PubMed
0.450n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM81980
PNG
(Butanserin | CAS_87051-46-5 | NSC_65652)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C24H26FN3O3/c25-19-9-7-17(8-10-19)22(29)18-11-15-27(16-12-18)13-3-4-14-28-23(30)20-5-1-2-6-21(20)26-24(28)31/h1-2,5-10,18H,3-4,11-16H2,(H,26,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.86n/an/an/an/an/an/an/an/a



The Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 83: 8784-8 (1986)


Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD
More data for this
Ligand-Target Pair