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BDBM50416867 CHEMBL1257343

SMILES: COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ncccc12)C(F)(F)F

InChI Key: InChIKey=BDZYLNZLEGRWAZ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50416867   
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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50416867
PNG
(CHEMBL1257343)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ncccc12)C(F)(F)F
Show InChI InChI=1S/C23H24F4N2O2/c1-21(2,17-12-15(24)9-10-20(17)31-3)13-22(30,23(25,26)27)14-29-19-8-4-7-18-16(19)6-5-11-28-18/h4-12,29-30H,13-14H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

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



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant mineralocorticoid receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50416867
PNG
(CHEMBL1257343)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ncccc12)C(F)(F)F
Show InChI InChI=1S/C23H24F4N2O2/c1-21(2,17-12-15(24)9-10-20(17)31-3)13-22(30,23(25,26)27)14-29-19-8-4-7-18-16(19)6-5-11-28-18/h4-12,29-30H,13-14H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant androgen receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416867
PNG
(CHEMBL1257343)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ncccc12)C(F)(F)F
Show InChI InChI=1S/C23H24F4N2O2/c1-21(2,17-12-15(24)9-10-20(17)31-3)13-22(30,23(25,26)27)14-29-19-8-4-7-18-16(19)6-5-11-28-18/h4-12,29-30H,13-14H2,1-3H3
PDB

KEGG

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UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 25.1n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor-mediated antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-induced IL-8...


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50416867
PNG
(CHEMBL1257343)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ncccc12)C(F)(F)F
Show InChI InChI=1S/C23H24F4N2O2/c1-21(2,17-12-15(24)9-10-20(17)31-3)13-22(30,23(25,26)27)14-29-19-8-4-7-18-16(19)6-5-11-28-18/h4-12,29-30H,13-14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant progesterone receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50416867
PNG
(CHEMBL1257343)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ncccc12)C(F)(F)F
Show InChI InChI=1S/C23H24F4N2O2/c1-21(2,17-12-15(24)9-10-20(17)31-3)13-22(30,23(25,26)27)14-29-19-8-4-7-18-16(19)6-5-11-28-18/h4-12,29-30H,13-14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 19.9n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant glucocorticoid receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair