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SMILES: CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cc(F)c(=O)n(C)c1)c1ccccc1

InChI Key: InChIKey=CFBUFBFJMBWHPM-BJKOFHAPSA-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 = 50457412   
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))
BDBM50457412
PNG
(CHEMBL4209216)
Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cc(F)c(=O)n(C)c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H27F3N4O3/c1-16(2)23(32-26(36)27(3,29)30)24(17-8-6-5-7-9-17)37-20-10-11-22-18(12-20)14-31-34(22)19-13-21(28)25(35)33(4)15-19/h5-16,23-24H,1-4H3,(H,32,36)/t23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60n/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))
BDBM50457412
PNG
(CHEMBL4209216)
Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cc(F)c(=O)n(C)c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H27F3N4O3/c1-16(2)23(32-26(36)27(3,29)30)24(17-8-6-5-7-9-17)37-20-10-11-22-18(12-20)14-31-34(22)19-13-21(28)25(35)33(4)15-19/h5-16,23-24H,1-4H3,(H,32,36)/t23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 301n/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))
BDBM50457412
PNG
(CHEMBL4209216)
Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cc(F)c(=O)n(C)c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H27F3N4O3/c1-16(2)23(32-26(36)27(3,29)30)24(17-8-6-5-7-9-17)37-20-10-11-22-18(12-20)14-31-34(22)19-13-21(28)25(35)33(4)15-19/h5-16,23-24H,1-4H3,(H,32,36)/t23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<3.20n/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))
BDBM50457412
PNG
(CHEMBL4209216)
Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cc(F)c(=O)n(C)c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H27F3N4O3/c1-16(2)23(32-26(36)27(3,29)30)24(17-8-6-5-7-9-17)37-20-10-11-22-18(12-20)14-31-34(22)19-13-21(28)25(35)33(4)15-19/h5-16,23-24H,1-4H3,(H,32,36)/t23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 18n/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