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

InChI Key: InChIKey=CRODFMXMGHZTCT-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 = 50124594   
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))
BDBM50124594
PNG
((5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-az...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(CO)c-34)c12 |t:1|
Show InChI InChI=1S/C23H25NO2/c1-5-7-18-22-16(21-15(13-25)8-6-9-19(21)26-18)10-11-17-20(22)14(2)12-23(3,4)24-17/h5-6,8-12,18,24-25H,1,7,13H2,2-4H3
PDB

KEGG

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Article
PubMed
2.30n/an/an/an/an/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50124594
PNG
((5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-az...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(CO)c-34)c12 |t:1|
Show InChI InChI=1S/C23H25NO2/c1-5-7-18-22-16(21-15(13-25)8-6-9-19(21)26-18)10-11-17-20(22)14(2)12-23(3,4)24-17/h5-6,8-12,18,24-25H,1,7,13H2,2-4H3
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Article
PubMed
192n/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))
BDBM50124594
PNG
((5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-az...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(CO)c-34)c12 |t:1|
Show InChI InChI=1S/C23H25NO2/c1-5-7-18-22-16(21-15(13-25)8-6-9-19(21)26-18)10-11-17-20(22)14(2)12-23(3,4)24-17/h5-6,8-12,18,24-25H,1,7,13H2,2-4H3
PDB
MMDB

NCI pathway
Reactome pathway
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CHEMBL
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Article
PubMed
1.32E+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))
BDBM50124594
PNG
((5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-az...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(CO)c-34)c12 |t:1|
Show InChI InChI=1S/C23H25NO2/c1-5-7-18-22-16(21-15(13-25)8-6-9-19(21)26-18)10-11-17-20(22)14(2)12-23(3,4)24-17/h5-6,8-12,18,24-25H,1,7,13H2,2-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


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Article
PubMed
n/an/an/an/a 19n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124594
PNG
((5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-az...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(CO)c-34)c12 |t:1|
Show InChI InChI=1S/C23H25NO2/c1-5-7-18-22-16(21-15(13-25)8-6-9-19(21)26-18)10-11-17-20(22)14(2)12-23(3,4)24-17/h5-6,8-12,18,24-25H,1,7,13H2,2-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 61n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 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