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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50054963'   
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


(RAT)		BDBM50054963
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-6b-Ethylsulfanyl-4b-fl...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SCC |c:15,t:11|
Show InChI InChI=1S/C25H35FO4S/c1-5-7-21-29-20-13-18-17-9-8-15-12-16(27)10-11-22(15,3)24(17,26)19(28)14-23(18,4)25(20,30-21)31-6-2/h10-12,17-21,28H,5-9,13-14H2,1-4H3/t17?,18?,19-,20+,21+,22-,23-,24-,25-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor

J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair