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SMILES: CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(O)c-34)c12

InChI Key: InChIKey=WISJIBWIQKICSR-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 = 50124596   
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))
BDBM50124596
PNG
(5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(O)c-34)c12 |t:1|
Show InChI InChI=1S/C22H23NO2/c1-5-7-17-21-14(20-16(24)8-6-9-18(20)25-17)10-11-15-19(21)13(2)12-22(3,4)23-15/h5-6,8-12,17,23-24H,1,7H2,2-4H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50124596
PNG
(5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(O)c-34)c12 |t:1|
Show InChI InChI=1S/C22H23NO2/c1-5-7-17-21-14(20-16(24)8-6-9-18(20)25-17)10-11-15-19(21)13(2)12-22(3,4)23-15/h5-6,8-12,17,23-24H,1,7H2,2-4H3
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PC sid
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Article
PubMed
330n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50124596
PNG
(5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(O)c-34)c12 |t:1|
Show InChI InChI=1S/C22H23NO2/c1-5-7-17-21-14(20-16(24)8-6-9-18(20)25-17)10-11-15-19(21)13(2)12-22(3,4)23-15/h5-6,8-12,17,23-24H,1,7H2,2-4H3
PDB
MMDB

NCI pathway
Reactome pathway
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Article
PubMed
2.06E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards testosterone receptor


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124596
PNG
(5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(O)c-34)c12 |t:1|
Show InChI InChI=1S/C22H23NO2/c1-5-7-17-21-14(20-16(24)8-6-9-18(20)25-17)10-11-15-19(21)13(2)12-22(3,4)23-15/h5-6,8-12,17,23-24H,1,7H2,2-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/an/an/a 250n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124596
PNG
(5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(O)c-34)c12 |t:1|
Show InChI InChI=1S/C22H23NO2/c1-5-7-17-21-14(20-16(24)8-6-9-18(20)25-17)10-11-15-19(21)13(2)12-22(3,4)23-15/h5-6,8-12,17,23-24H,1,7H2,2-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 550n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase DHFR in Pneumocystis carinii.


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair