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BDBM50514741 CHEMBL4476557

SMILES: CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(cc1)C(F)(F)F)c1ccccc1

InChI Key: InChIKey=YHEYAZQEOLSQKE-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50514741   
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-2A adrenergic receptor


(Homo sapiens)		BDBM50514741
PNG
(CHEMBL4476557)
Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(cc1)C(F)(F)F)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H22F3N2O5P/c1-3-32-34(31,33-4-2)22(15-8-6-5-7-9-15)19-18(14-27-22)20(29)28(21(19)30)17-12-10-16(11-13-17)23(24,25)26/h5-14,18-19H,3-4H2,1-2H3
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
 1.86E+4n/an/an/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry

J Med Chem 63: 3610-3633 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02080
More data for this
Ligand-Target Pair