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BDBM50107347 (+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene::(+/-)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene::(-)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene::5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene::5-allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-chromeno[3,4-f]quinoline::CHEMBL266282

SMILES: COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12

InChI Key: InChIKey=CZSDJYXNNJQXBB-UHFFFAOYSA-N

Data: 6 KI  4 IC50  7 EC50

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 17 hits for monomerid = 50107347   
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))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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2.5n/an/an/an/an/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
Androgen Receptor


(Homo sapiens (Human))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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1.23E+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
Progesterone receptor


(Homo sapiens (Human))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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1.79E+3n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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1.80E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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1.80E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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n/an/an/an/a 33n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
The effective concentration in CV-1 cells for glucocorticoid response element activation (GRE).


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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n/an/a 6.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of transcriptional repression in CV-1 cells expressing glucocorticoid receptor


Bioorg Med Chem Lett 14: 1721-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.044
BindingDB Entry DOI: 10.7270/Q2KP81M9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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n/an/a 33n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of transcriptional activation in CV-1 cells expressing glucocorticoid receptor


Bioorg Med Chem Lett 14: 1721-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.044
BindingDB Entry DOI: 10.7270/Q2KP81M9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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n/an/an/an/a 13n/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))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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n/an/an/an/a 780n/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))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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n/an/an/an/a 13n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in HepG2 cells transfected with LUC gene (E-sel-Luc).


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of transcriptional repression in CV-1 cells expressing glucocorticoid receptor


Bioorg Med Chem Lett 14: 1721-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.044
BindingDB Entry DOI: 10.7270/Q2KP81M9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of transcriptional repression in CV-1 cells expressing glucocorticoid receptor


Bioorg Med Chem Lett 14: 1721-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.044
BindingDB Entry DOI: 10.7270/Q2KP81M9
More data for this
Ligand-Target Pair
Glucocorticoid


(RAT)
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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n/an/an/an/a 48n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conconavalin A stimulated rat splenocyte proliferation


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))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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n/an/an/an/a 33n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50107347
PNG
((+)5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...)
Show SMILES COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
Show InChI InChI=1S/C23H25NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h6-7,9-13,18,24H,1,8H2,2-5H3
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n/an/an/an/a 13n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in HepG2 cells transfected with LUC gene (E-sel-Luc).


J Med Chem 44: 4481-91 (2001)


BindingDB Entry DOI: 10.7270/Q2CZ36F4
More data for this
Ligand-Target Pair