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SMILES: Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)C(N)=O)C(F)(F)F

InChI Key: InChIKey=TYOOOSONZFYFLZ-UHFFFAOYSA-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 = 50041909   
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))
BDBM50041909
PNG
(CHEMBL3358930)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C22H23F4N3O2/c1-12-4-5-14(23)8-16(12)20(2,3)11-21(31,22(24,25)26)9-15-6-13-7-17(19(27)30)28-10-18(13)29-15/h4-8,10,29,31H,9,11H2,1-3H3,(H2,27,30)
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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50041909
PNG
(CHEMBL3358930)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C22H23F4N3O2/c1-12-4-5-14(23)8-16(12)20(2,3)11-21(31,22(24,25)26)9-15-6-13-7-17(19(27)30)28-10-18(13)29-15/h4-8,10,29,31H,9,11H2,1-3H3,(H2,27,30)
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MMDB

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n/an/a 2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 using 7-benzyloxy-4-(trifluoromethyl)-coumarin as substrate after 30 mins by fluorescence assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50041909
PNG
(CHEMBL3358930)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C22H23F4N3O2/c1-12-4-5-14(23)8-16(12)20(2,3)11-21(31,22(24,25)26)9-15-6-13-7-17(19(27)30)28-10-18(13)29-15/h4-8,10,29,31H,9,11H2,1-3H3,(H2,27,30)
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n/an/a 300n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50041909
PNG
(CHEMBL3358930)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C22H23F4N3O2/c1-12-4-5-14(23)8-16(12)20(2,3)11-21(31,22(24,25)26)9-15-6-13-7-17(19(27)30)28-10-18(13)29-15/h4-8,10,29,31H,9,11H2,1-3H3,(H2,27,30)
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antibodypedia
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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled dexamethasone from PR (unknown origin) by fluorescence polarization assay


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ
More data for this
Ligand-Target Pair