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SMILES: CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CSC(CCO)C([O-])=O

InChI Key: InChIKey=APDRTDUGMKLOCD-FXCZEWEHSA-M

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50083758   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50083758
PNG
(CHEMBL63241 | Sodium Salt of 2-[2-(4b,12-Difluoro-...)
Show SMILES CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CSC(CCO)C([O-])=O |c:15,t:11|
Show InChI InChI=1S/C28H36F2O8S/c1-24(2)37-22-11-15-16-10-18(29)17-9-14(32)5-7-25(17,3)27(16,30)20(33)12-26(15,4)28(22,38-24)21(34)13-39-19(6-8-31)23(35)36/h5,7,9,15-16,18-20,22,31,33H,6,8,10-13H2,1-4H3,(H,35,36)/p-1/t15?,16?,18-,19?,20-,22+,25-,26-,27-,28+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 194n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dexamethasone binding to human Glucocorticoid Receptor


J Med Chem 43: 19-21 (2000)


BindingDB Entry DOI: 10.7270/Q2DR2TPK
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50083758
PNG
(CHEMBL63241 | Sodium Salt of 2-[2-(4b,12-Difluoro-...)
Show SMILES CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CSC(CCO)C([O-])=O |c:15,t:11|
Show InChI InChI=1S/C28H36F2O8S/c1-24(2)37-22-11-15-16-10-18(29)17-9-14(32)5-7-25(17,3)27(16,30)20(33)12-26(15,4)28(22,38-24)21(34)13-39-19(6-8-31)23(35)36/h5,7,9,15-16,18-20,22,31,33H,6,8,10-13H2,1-4H3,(H,35,36)/p-1/t15?,16?,18-,19?,20-,22+,25-,26-,27-,28+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 827n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-dexamethasone binding to human Glucocorticoid Receptor


J Med Chem 43: 19-21 (2000)


BindingDB Entry DOI: 10.7270/Q2DR2TPK
More data for this
Ligand-Target Pair