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BDBM50225694 CHEMBL153815

SMILES: COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2cc(Cl)ccc2O1

InChI Key: InChIKey=XKXHYMRIGJXANM-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50225694   
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))		BDBM50225694
PNG
(CHEMBL153815)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2cc(Cl)ccc2O1
Show InChI InChI=1S/C23H24ClN5O5/c1-31-17-10-14-15(11-18(17)32-2)26-23(27-21(14)25)29-7-5-28(6-8-29)22(30)20-12-33-19-9-13(24)3-4-16(19)34-20/h3-4,9-11,20H,5-8,12H2,1-2H3,(H2,25,26,27)
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PubMed
 13n/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