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BDBM50225696 CHEMBL154212

SMILES: COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2cccc(C)c2O1

InChI Key: InChIKey=ORMUJQKATBJGHA-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50225696   
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))		BDBM50225696
PNG
(CHEMBL154212)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2cccc(C)c2O1
Show InChI InChI=1S/C24H27N5O5/c1-14-5-4-6-17-21(14)34-20(13-33-17)23(30)28-7-9-29(10-8-28)24-26-16-12-19(32-3)18(31-2)11-15(16)22(25)27-24/h4-6,11-12,20H,7-10,13H2,1-3H3,(H2,25,26,27)
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CHEMBL
PC cid
PC sid
UniChem
PubMed
 3.70n/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)


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