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BDBM50245650 CHEMBL4062896

SMILES: COCC1=C([C@H](NCN1)c1ccc(F)cc1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1

InChI Key: InChIKey=JBMYXXQEQFJVKD-AREMUKBSSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50245650   
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 adrenergic receptor


(Homo sapiens (Human))		BDBM50245650
PNG
(CHEMBL4062896)
Show SMILES COCC1=C([C@H](NCN1)c1ccc(F)cc1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C28H33F2N5O2/c1-37-17-24-25(26(34-19-33-24)20-3-7-22(29)8-4-20)27(36)32-13-2-14-35-15-11-28(18-31,12-16-35)21-5-9-23(30)10-6-21/h3-10,26,33-34H,2,11-17,19H2,1H3,(H,32,36)/t26-/m1/s1
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Similars
Article
PubMed
 0.170n/an/an/an/an/an/an/an/a



Indo-Soviet Friendship College of Pharmacy (ISFCP)

Curated by ChEMBL


Assay Description
Displacement of [125I]L-762,459 from recombinant human alpha1a adrenergic receptor expressed in mammalian cells measured after 1 hr

Eur J Med Chem 132: 108-134 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.025
BindingDB Entry DOI: 10.7270/Q2X350V4
More data for this
Ligand-Target Pair