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SMILES: CS(=O)(=O)Nc1ccc-2c(c1)C(Oc1cccc(OC(F)F)c-21)c1ccccc1

InChI Key: InChIKey=WFSBONJXUAXVJH-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 6 hits for monomerid = 50144173   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50144173
PNG
(CHEMBL65221 | N-(1-Difluoromethoxy-6-phenyl-6H-ben...)
Show SMILES CS(=O)(=O)Nc1ccc-2c(c1)C(Oc1cccc(OC(F)F)c-21)c1ccccc1
Show InChI InChI=1S/C21H17F2NO4S/c1-29(25,26)24-14-10-11-15-16(12-14)20(13-6-3-2-4-7-13)27-17-8-5-9-18(19(15)17)28-21(22)23/h2-12,20-21,24H,1H3
PDB

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antibodypedia
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PC sid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human estrogen receptor alpha


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50144173
PNG
(CHEMBL65221 | N-(1-Difluoromethoxy-6-phenyl-6H-ben...)
Show SMILES CS(=O)(=O)Nc1ccc-2c(c1)C(Oc1cccc(OC(F)F)c-21)c1ccccc1
Show InChI InChI=1S/C21H17F2NO4S/c1-29(25,26)24-14-10-11-15-16(12-14)20(13-6-3-2-4-7-13)27-17-8-5-9-18(19(15)17)28-21(22)23/h2-12,20-21,24H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Article
PubMed
n/an/a 8.73E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human Androgen receptor


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50144173
PNG
(CHEMBL65221 | N-(1-Difluoromethoxy-6-phenyl-6H-ben...)
Show SMILES CS(=O)(=O)Nc1ccc-2c(c1)C(Oc1cccc(OC(F)F)c-21)c1ccccc1
Show InChI InChI=1S/C21H17F2NO4S/c1-29(25,26)24-14-10-11-15-16(12-14)20(13-6-3-2-4-7-13)27-17-8-5-9-18(19(15)17)28-21(22)23/h2-12,20-21,24H,1H3
PDB

KEGG

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PubMed
n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 9-12 nM


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50144173
PNG
(CHEMBL65221 | N-(1-Difluoromethoxy-6-phenyl-6H-ben...)
Show SMILES CS(=O)(=O)Nc1ccc-2c(c1)C(Oc1cccc(OC(F)F)c-21)c1ccccc1
Show InChI InChI=1S/C21H17F2NO4S/c1-29(25,26)24-14-10-11-15-16(12-14)20(13-6-3-2-4-7-13)27-17-8-5-9-18(19(15)17)28-21(22)23/h2-12,20-21,24H,1H3
PDB

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PubMed
n/an/a 367n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from human Progesterone receptor


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50144173
PNG
(CHEMBL65221 | N-(1-Difluoromethoxy-6-phenyl-6H-ben...)
Show SMILES CS(=O)(=O)Nc1ccc-2c(c1)C(Oc1cccc(OC(F)F)c-21)c1ccccc1
Show InChI InChI=1S/C21H17F2NO4S/c1-29(25,26)24-14-10-11-15-16(12-14)20(13-6-3-2-4-7-13)27-17-8-5-9-18(19(15)17)28-21(22)23/h2-12,20-21,24H,1H3
PDB

KEGG

UniProtKB/SwissProt

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

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Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Effect on human Glucocorticoid receptor (GR) in a whole cell assay to measure functional cellular GR-antagonism (GRAF)


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50144173
PNG
(CHEMBL65221 | N-(1-Difluoromethoxy-6-phenyl-6H-ben...)
Show SMILES CS(=O)(=O)Nc1ccc-2c(c1)C(Oc1cccc(OC(F)F)c-21)c1ccccc1
Show InChI InChI=1S/C21H17F2NO4S/c1-29(25,26)24-14-10-11-15-16(12-14)20(13-6-3-2-4-7-13)27-17-8-5-9-18(19(15)17)28-21(22)23/h2-12,20-21,24H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 162n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from human Mineralocorticoid receptor


Bioorg Med Chem Lett 14: 2079-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.048
BindingDB Entry DOI: 10.7270/Q21V5FHJ
More data for this
Ligand-Target Pair