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BDBM50226238 CHEMBL301614

SMILES: COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccc(OC(C)C)nn1

InChI Key: InChIKey=YSQYNSXHVGIPAJ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50226238   
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))		BDBM50226238
PNG
(CHEMBL301614)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccc(OC(C)C)nn1
Show InChI InChI=1S/C21H27N7O3/c1-13(2)31-19-6-5-18(25-26-19)27-7-9-28(10-8-27)21-23-15-12-17(30-4)16(29-3)11-14(15)20(22)24-21/h5-6,11-13H,7-10H2,1-4H3,(H2,22,23,24)
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PC cid
PC sid
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Similars
PubMed
 0.290n/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