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BDBM50356045 CHEMBL1911645

SMILES: CCc1cccc2[nH]c(CC(O)(CC(C)(C)c3cc(F)ccc3OC)C(F)(F)F)cc12

InChI Key: InChIKey=VDCNLLFWCBGVMM-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 = 50356045   
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))
BDBM50356045
PNG
(CHEMBL1911645)
Show SMILES CCc1cccc2[nH]c(CC(O)(CC(C)(C)c3cc(F)ccc3OC)C(F)(F)F)cc12
Show InChI InChI=1S/C24H27F4NO2/c1-5-15-7-6-8-20-18(15)12-17(29-20)13-23(30,24(26,27)28)14-22(2,3)19-11-16(25)9-10-21(19)31-4/h6-12,29-30H,5,13-14H2,1-4H3
PDB

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Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356045
PNG
(CHEMBL1911645)
Show SMILES CCc1cccc2[nH]c(CC(O)(CC(C)(C)c3cc(F)ccc3OC)C(F)(F)F)cc12
Show InChI InChI=1S/C24H27F4NO2/c1-5-15-7-6-8-20-18(15)12-17(29-20)13-23(30,24(26,27)28)14-22(2,3)19-11-16(25)9-10-21(19)31-4/h6-12,29-30H,5,13-14H2,1-4H3
PDB

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PC sid
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Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50356045
PNG
(CHEMBL1911645)
Show SMILES CCc1cccc2[nH]c(CC(O)(CC(C)(C)c3cc(F)ccc3OC)C(F)(F)F)cc12
Show InChI InChI=1S/C24H27F4NO2/c1-5-15-7-6-8-20-18(15)12-17(29-20)13-23(30,24(26,27)28)14-22(2,3)19-11-16(25)9-10-21(19)31-4/h6-12,29-30H,5,13-14H2,1-4H3
PDB
MMDB

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Article
PubMed
n/an/a 790n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant mineralocorticoid receptor expressed in baculovirus infected insect...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50356045
PNG
(CHEMBL1911645)
Show SMILES CCc1cccc2[nH]c(CC(O)(CC(C)(C)c3cc(F)ccc3OC)C(F)(F)F)cc12
Show InChI InChI=1S/C24H27F4NO2/c1-5-15-7-6-8-20-18(15)12-17(29-20)13-23(30,24(26,27)28)14-22(2,3)19-11-16(25)9-10-21(19)31-4/h6-12,29-30H,5,13-14H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled RU-486 from human recombinant progesterone receptor expressed in baculovirus infected insect cells by fl...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair