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BDBM50225519 CHEMBL154686

SMILES: COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccc(cc2O1)S(=O)(=O)N(C)C

InChI Key: InChIKey=RQWKIFNDQZSGPU-UHFFFAOYNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50225519   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50225519
PNG
(CHEMBL154686)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccc(cc2O1)S(=O)(=O)N(C)C
Show InChI InChI=1/C25H30N6O7S/c1-29(2)39(33,34)15-5-6-18-21(11-15)38-22(14-37-18)24(32)30-7-9-31(10-8-30)25-27-17-13-20(36-4)19(35-3)12-16(17)23(26)28-25/h5-6,11-13,22H,7-10,14H2,1-4H3,(H2,26,27,28)
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PC cid
PC sid
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Similars

Article
PubMed
6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration


J Med Chem 30: 49-57 (1987)


Article DOI: 10.1021/jm00384a009
BindingDB Entry DOI: 10.7270/Q24J0HCH
More data for this
Ligand-Target Pair