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SMILES: COc1c(ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12)C(=O)OC(F)(F)F

InChI Key: InChIKey=BOKVFPHZBOIKMY-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 = 50373235   
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))
BDBM50373235
PNG
(CHEMBL256769)
Show SMILES COc1c(ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12)C(=O)OC(F)(F)F
Show InChI InChI=1S/C20H12F3NO6/c1-8-7-13(25)24-11-5-3-9-15-12(29-19(27)16(9)14(8)11)6-4-10(17(15)28-2)18(26)30-20(21,22)23/h3-7H,1-2H3,(H,24,25)
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10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human androgen receptor expressed in monkey COS7 cells by whole cell binding assay


Bioorg Med Chem Lett 18: 3431-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.085
BindingDB Entry DOI: 10.7270/Q25M66J9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50373235
PNG
(CHEMBL256769)
Show SMILES COc1c(ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12)C(=O)OC(F)(F)F
Show InChI InChI=1S/C20H12F3NO6/c1-8-7-13(25)24-11-5-3-9-15-12(29-19(27)16(9)14(8)11)6-4-10(17(15)28-2)18(26)30-20(21,22)23/h3-7H,1-2H3,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor african green monkey CV1 cells by cotransfection assay


Bioorg Med Chem Lett 18: 3431-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.085
BindingDB Entry DOI: 10.7270/Q25M66J9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50373235
PNG
(CHEMBL256769)
Show SMILES COc1c(ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12)C(=O)OC(F)(F)F
Show InChI InChI=1S/C20H12F3NO6/c1-8-7-13(25)24-11-5-3-9-15-12(29-19(27)16(9)14(8)11)6-4-10(17(15)28-2)18(26)30-20(21,22)23/h3-7H,1-2H3,(H,24,25)
PDB
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n/an/a 0.200n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at androgen receptor in human Saos2 cells assessed as IL6 repression


Bioorg Med Chem Lett 18: 3431-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.085
BindingDB Entry DOI: 10.7270/Q25M66J9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50373235
PNG
(CHEMBL256769)
Show SMILES COc1c(ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12)C(=O)OC(F)(F)F
Show InChI InChI=1S/C20H12F3NO6/c1-8-7-13(25)24-11-5-3-9-15-12(29-19(27)16(9)14(8)11)6-4-10(17(15)28-2)18(26)30-20(21,22)23/h3-7H,1-2H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 43n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor african green monkey CV1 cells by cotransfection assay


Bioorg Med Chem Lett 18: 3431-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.085
BindingDB Entry DOI: 10.7270/Q25M66J9
More data for this
Ligand-Target Pair