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BDBM50225444 CHEMBL262745

SMILES: COc1cc2nc(nc(N)c2cc1OC)N1CCCN(CC1)C(=O)C1COc2ccccc2O1

InChI Key: InChIKey=XNMGDFNKSSQIGK-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50225444   
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-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50225444
PNG
(CHEMBL262745)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C24H27N5O5/c1-31-19-12-15-16(13-20(19)32-2)26-24(27-22(15)25)29-9-5-8-28(10-11-29)23(30)21-14-33-17-6-3-4-7-18(17)34-21/h3-4,6-7,12-13,21H,5,8-11,14H2,1-2H3,(H2,25,26,27)
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PC sid
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Similars
PubMed
 1.60n/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