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BDBM50403727 CHEMBL2112310

SMILES: CC[C@@H]1CNc2cc3oc(=O)cc(c3cc2[C@H]1CC)C(F)(F)F

InChI Key: InChIKey=ABMNASWKARFNAA-ZJUUUORDSA-N

Data: 4 IC50  2 EC50

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 6 hits for monomerid = 50403727   
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
Androgen Receptor


(Homo sapiens (Human))
BDBM50403727
PNG
(CHEMBL2112310)
Show SMILES CC[C@@H]1CNc2cc3oc(=O)cc(c3cc2[C@H]1CC)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3NO2/c1-3-9-8-21-14-7-15-12(5-11(14)10(9)4-2)13(17(18,19)20)6-16(22)23-15/h5-7,9-10,21H,3-4,8H2,1-2H3/t9-,10+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cells


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50403727
PNG
(CHEMBL2112310)
Show SMILES CC[C@@H]1CNc2cc3oc(=O)cc(c3cc2[C@H]1CC)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3NO2/c1-3-9-8-21-14-7-15-12(5-11(14)10(9)4-2)13(17(18,19)20)6-16(22)23-15/h5-7,9-10,21H,3-4,8H2,1-2H3/t9-,10+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human mineralocorticoid receptor (hMR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50403727
PNG
(CHEMBL2112310)
Show SMILES CC[C@@H]1CNc2cc3oc(=O)cc(c3cc2[C@H]1CC)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3NO2/c1-3-9-8-21-14-7-15-12(5-11(14)10(9)4-2)13(17(18,19)20)6-16(22)23-15/h5-7,9-10,21H,3-4,8H2,1-2H3/t9-,10+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 5n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50403727
PNG
(CHEMBL2112310)
Show SMILES CC[C@@H]1CNc2cc3oc(=O)cc(c3cc2[C@H]1CC)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3NO2/c1-3-9-8-21-14-7-15-12(5-11(14)10(9)4-2)13(17(18,19)20)6-16(22)23-15/h5-7,9-10,21H,3-4,8H2,1-2H3/t9-,10+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human glucocorticoid receptor (hGR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50403727
PNG
(CHEMBL2112310)
Show SMILES CC[C@@H]1CNc2cc3oc(=O)cc(c3cc2[C@H]1CC)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3NO2/c1-3-9-8-21-14-7-15-12(5-11(14)10(9)4-2)13(17(18,19)20)6-16(22)23-15/h5-7,9-10,21H,3-4,8H2,1-2H3/t9-,10+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active.


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50403727
PNG
(CHEMBL2112310)
Show SMILES CC[C@@H]1CNc2cc3oc(=O)cc(c3cc2[C@H]1CC)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3NO2/c1-3-9-8-21-14-7-15-12(5-11(14)10(9)4-2)13(17(18,19)20)6-16(22)23-15/h5-7,9-10,21H,3-4,8H2,1-2H3/t9-,10+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 65n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro antagonistic activity against human progesterone receptor (hPR)


Bioorg Med Chem Lett 9: 1003-8 (1999)


BindingDB Entry DOI: 10.7270/Q2JS9PM8
More data for this
Ligand-Target Pair