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SMILES: COc1cccc2OC(c3cc(C)cc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12

InChI Key: InChIKey=OKMFMKSZIXQMRJ-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 5 hits for monomerid = 50144153   
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))
BDBM50144153
PNG
(CHEMBL293452 | N-[6-(3,5-Dimethyl-phenyl)-1-methox...)
Show SMILES COc1cccc2OC(c3cc(C)cc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12
Show InChI InChI=1S/C23H23NO4S/c1-14-10-15(2)12-16(11-14)23-19-13-17(24-29(4,25)26)8-9-18(19)22-20(27-3)6-5-7-21(22)28-23/h5-13,23-24H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 78n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50144153
PNG
(CHEMBL293452 | N-[6-(3,5-Dimethyl-phenyl)-1-methox...)
Show SMILES COc1cccc2OC(c3cc(C)cc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12
Show InChI InChI=1S/C23H23NO4S/c1-14-10-15(2)12-16(11-14)23-19-13-17(24-29(4,25)26)8-9-18(19)22-20(27-3)6-5-7-21(22)28-23/h5-13,23-24H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 210n/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))
BDBM50144153
PNG
(CHEMBL293452 | N-[6-(3,5-Dimethyl-phenyl)-1-methox...)
Show SMILES COc1cccc2OC(c3cc(C)cc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12
Show InChI InChI=1S/C23H23NO4S/c1-14-10-15(2)12-16(11-14)23-19-13-17(24-29(4,25)26)8-9-18(19)22-20(27-3)6-5-7-21(22)28-23/h5-13,23-24H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
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)


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))
BDBM50144153
PNG
(CHEMBL293452 | N-[6-(3,5-Dimethyl-phenyl)-1-methox...)
Show SMILES COc1cccc2OC(c3cc(C)cc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12
Show InChI InChI=1S/C23H23NO4S/c1-14-10-15(2)12-16(11-14)23-19-13-17(24-29(4,25)26)8-9-18(19)22-20(27-3)6-5-7-21(22)28-23/h5-13,23-24H,1-4H3
PDB
MMDB

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 1.22E+3n/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
Androgen receptor


(Homo sapiens (Human))
BDBM50144153
PNG
(CHEMBL293452 | N-[6-(3,5-Dimethyl-phenyl)-1-methox...)
Show SMILES COc1cccc2OC(c3cc(C)cc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12
Show InChI InChI=1S/C23H23NO4S/c1-14-10-15(2)12-16(11-14)23-19-13-17(24-29(4,25)26)8-9-18(19)22-20(27-3)6-5-7-21(22)28-23/h5-13,23-24H,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/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