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BDBM50225518 CHEMBL153933

SMILES: COc1ccc2OC(COc2c1)C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1

InChI Key: InChIKey=RRIDWOCNSSODKC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50225518   
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))		BDBM50225518
PNG
(CHEMBL153933)
Show SMILES COc1ccc2OC(COc2c1)C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C24H27N5O6/c1-31-14-4-5-17-20(10-14)34-13-21(35-17)23(30)28-6-8-29(9-7-28)24-26-16-12-19(33-3)18(32-2)11-15(16)22(25)27-24/h4-5,10-12,21H,6-9,13H2,1-3H3,(H2,25,26,27)
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PC sid
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Similars
PubMed
 5.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for alpha-1 adrenoceptor 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