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BDBM50001820 CHEMBL3233273

SMILES: CCC(C)(C)C(O)(Cc1cc2ccncc2[nH]1)CC(C)(C)c1cc(F)ccc1OC

InChI Key: InChIKey=MDONCBVHXUPFSV-UHFFFAOYSA-N

Data: 4 IC50

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 = 50001820   
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))
BDBM50001820
PNG
(CHEMBL3233273)
Show SMILES CCC(C)(C)C(O)(Cc1cc2ccncc2[nH]1)CC(C)(C)c1cc(F)ccc1OC
Show InChI InChI=1S/C25H33FN2O2/c1-7-24(4,5)25(29,14-19-12-17-10-11-27-15-21(17)28-19)16-23(2,3)20-13-18(26)8-9-22(20)30-6/h8-13,15,28-29H,7,14,16H2,1-6H3
PDB

KEGG

UniProtKB/SwissProt

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

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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1934-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.005
BindingDB Entry DOI: 10.7270/Q2251KPB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50001820
PNG
(CHEMBL3233273)
Show SMILES CCC(C)(C)C(O)(Cc1cc2ccncc2[nH]1)CC(C)(C)c1cc(F)ccc1OC
Show InChI InChI=1S/C25H33FN2O2/c1-7-24(4,5)25(29,14-19-12-17-10-11-27-15-21(17)28-19)16-23(2,3)20-13-18(26)8-9-22(20)30-6/h8-13,15,28-29H,7,14,16H2,1-6H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human foreskin fibroblasts assessed as inhibition of IL-1-induced IL-6 production by trans-repression ...


Bioorg Med Chem Lett 24: 1934-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.005
BindingDB Entry DOI: 10.7270/Q2251KPB
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50001820
PNG
(CHEMBL3233273)
Show SMILES CCC(C)(C)C(O)(Cc1cc2ccncc2[nH]1)CC(C)(C)c1cc(F)ccc1OC
Show InChI InChI=1S/C25H33FN2O2/c1-7-24(4,5)25(29,14-19-12-17-10-11-27-15-21(17)28-19)16-23(2,3)20-13-18(26)8-9-22(20)30-6/h8-13,15,28-29H,7,14,16H2,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from mineralocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1934-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.005
BindingDB Entry DOI: 10.7270/Q2251KPB
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50001820
PNG
(CHEMBL3233273)
Show SMILES CCC(C)(C)C(O)(Cc1cc2ccncc2[nH]1)CC(C)(C)c1cc(F)ccc1OC
Show InChI InChI=1S/C25H33FN2O2/c1-7-24(4,5)25(29,14-19-12-17-10-11-27-15-21(17)28-19)16-23(2,3)20-13-18(26)8-9-22(20)30-6/h8-13,15,28-29H,7,14,16H2,1-6H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 1934-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.005
BindingDB Entry DOI: 10.7270/Q2251KPB
More data for this
Ligand-Target Pair