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SMILES: COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@@H](NC(=O)C(C)(F)F)OC(C)(C)C

InChI Key: InChIKey=YKDVPZHHZGFRMK-RPBOFIJWSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50457409   
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))
BDBM50457409
PNG
(CHEMBL4203918)
Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@@H](NC(=O)C(C)(F)F)OC(C)(C)C |r|
Show InChI InChI=1S/C28H29F3N4O4/c1-27(2,3)39-25(34-26(36)28(4,30)31)24(17-6-13-23(37-5)32-15-17)38-21-11-12-22-18(14-21)16-33-35(22)20-9-7-19(29)8-10-20/h6-16,24-25H,1-5H3,(H,34,36)/t24-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...


J Med Chem 61: 1785-1799 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01690
BindingDB Entry DOI: 10.7270/Q2XK8J5R
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50457409
PNG
(CHEMBL4203918)
Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@@H](NC(=O)C(C)(F)F)OC(C)(C)C |r|
Show InChI InChI=1S/C28H29F3N4O4/c1-27(2,3)39-25(34-26(36)28(4,30)31)24(17-6-13-23(37-5)32-15-17)38-21-11-12-22-18(14-21)16-33-35(22)20-9-7-19(29)8-10-20/h6-16,24-25H,1-5H3,(H,34,36)/t24-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of dexamethasone induced tran...


J Med Chem 61: 1785-1799 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01690
BindingDB Entry DOI: 10.7270/Q2XK8J5R
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50457409
PNG
(CHEMBL4203918)
Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@@H](NC(=O)C(C)(F)F)OC(C)(C)C |r|
Show InChI InChI=1S/C28H29F3N4O4/c1-27(2,3)39-25(34-26(36)28(4,30)31)24(17-6-13-23(37-5)32-15-17)38-21-11-12-22-18(14-21)16-33-35(22)20-9-7-19(29)8-10-20/h6-16,24-25H,1-5H3,(H,34,36)/t24-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay


J Med Chem 61: 1785-1799 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01690
BindingDB Entry DOI: 10.7270/Q2XK8J5R
More data for this
Ligand-Target Pair