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BDBM50226235 CHEMBL54288

SMILES: COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1cc(OC(C)C)ncn1

InChI Key: InChIKey=DCEQYRFMXBTNJP-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50226235   
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))		BDBM50226235
PNG
(CHEMBL54288)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1cc(OC(C)C)ncn1
Show InChI InChI=1S/C21H27N7O3/c1-13(2)31-19-11-18(23-12-24-19)27-5-7-28(8-6-27)21-25-15-10-17(30-4)16(29-3)9-14(15)20(22)26-21/h9-13H,5-8H2,1-4H3,(H2,22,25,26)
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PC cid
PC sid
UniChem

Similars
PubMed
 0.180n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.

J Med Chem 30: 1794-8 (1987)


BindingDB Entry DOI: 10.7270/Q2W0985N
More data for this
Ligand-Target Pair