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BDBM50225748 CHEMBL424516

SMILES: COc1cc2nc(nc(N)c2cc1OC)N1CCN(C(C)C1)C(=O)C1COc2ccccc2O1

InChI Key: InChIKey=PZLDMJQEKRSBKQ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50225748   
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))		BDBM50225748
PNG
(CHEMBL424516)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C(C)C1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C24H27N5O5/c1-14-12-28(24-26-16-11-20(32-3)19(31-2)10-15(16)22(25)27-24)8-9-29(14)23(30)21-13-33-17-6-4-5-7-18(17)34-21/h4-7,10-11,14,21H,8-9,12-13H2,1-3H3,(H2,25,26,27)
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PC cid
PC sid
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Similars
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)


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