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SMILES: COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](Cc1ccccc1)NC(=O)C(C)(F)F

InChI Key: InChIKey=UYYHTGWCKHBJON-LITSAYRRSA-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 4 hits for monomerid = 50457408   
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))
BDBM50457408
PNG
(CHEMBL4211936)
Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](Cc1ccccc1)NC(=O)C(C)(F)F |r|
Show InChI InChI=1S/C31H27F3N4O3/c1-31(33,34)30(39)37-26(16-20-6-4-3-5-7-20)29(21-8-15-28(40-2)35-18-21)41-25-13-14-27-22(17-25)19-36-38(27)24-11-9-23(32)10-12-24/h3-15,17-19,26,29H,16H2,1-2H3,(H,37,39)/t26-,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/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))
BDBM50457408
PNG
(CHEMBL4211936)
Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](Cc1ccccc1)NC(=O)C(C)(F)F |r|
Show InChI InChI=1S/C31H27F3N4O3/c1-31(33,34)30(39)37-26(16-20-6-4-3-5-7-20)29(21-8-15-28(40-2)35-18-21)41-25-13-14-27-22(17-25)19-36-38(27)24-11-9-23(32)10-12-24/h3-15,17-19,26,29H,16H2,1-2H3,(H,37,39)/t26-,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50457408
PNG
(CHEMBL4211936)
Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](Cc1ccccc1)NC(=O)C(C)(F)F |r|
Show InChI InChI=1S/C31H27F3N4O3/c1-31(33,34)30(39)37-26(16-20-6-4-3-5-7-20)29(21-8-15-28(40-2)35-18-21)41-25-13-14-27-22(17-25)19-36-38(27)24-11-9-23(32)10-12-24/h3-15,17-19,26,29H,16H2,1-2H3,(H,37,39)/t26-,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 92n/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))
BDBM50457408
PNG
(CHEMBL4211936)
Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](Cc1ccccc1)NC(=O)C(C)(F)F |r|
Show InChI InChI=1S/C31H27F3N4O3/c1-31(33,34)30(39)37-26(16-20-6-4-3-5-7-20)29(21-8-15-28(40-2)35-18-21)41-25-13-14-27-22(17-25)19-36-38(27)24-11-9-23(32)10-12-24/h3-15,17-19,26,29H,16H2,1-2H3,(H,37,39)/t26-,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.70n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells incubated for 24 hrs by beta-galactosidase repo...


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