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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor' and Ligand = 'BDBM50228237'   
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/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50228237
PNG
(CHEMBL554455)
Show SMILES Cl.CO\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:29,t:26|
Show InChI InChI=1S/C28H31N3O8.ClH/c1-17-24(27(32)36-4)26(19-8-7-9-20(14-19)31(34)35)25(18(2)29-17)28(33)37-13-12-30(3)15-21-16-38-22-10-5-6-11-23(22)39-21;/h5-11,14,21,26,32H,12-13,15-16H2,1-4H3;1H/b27-24+;
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PC cid
PC sid
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Similars

PubMed
n/an/a 500n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation


J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50228237
PNG
(CHEMBL554455)
Show SMILES Cl.CO\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:29,t:26|
Show InChI InChI=1S/C28H31N3O8.ClH/c1-17-24(27(32)36-4)26(19-8-7-9-20(14-19)31(34)35)25(18(2)29-17)28(33)37-13-12-30(3)15-21-16-38-22-10-5-6-11-23(22)39-21;/h5-11,14,21,26,32H,12-13,15-16H2,1-4H3;1H/b27-24+;
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed in vitro from the ability to inhibit clonidine binding to rat aorta preparation


J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair