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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50201088'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50201088
PNG
(1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2cnccc12)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O3/c1-20(2,16-10-14(23)4-5-19(16)31-3)12-21(30,22(24,25)26)13-28-9-7-18(29)15-11-27-8-6-17(15)28/h4-11,30H,12-13H2,1-3H3
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Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assay

J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair