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SMILES: COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12

InChI Key: InChIKey=UTLVNNNRCCRBDZ-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 12 hits for monomerid = 50103251   
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))
BDBM50103251
PNG
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)
Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|
Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3
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PubMed
3.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for glucocorticoid receptor


J Med Chem 44: 2879-85 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50103251
PNG
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)
Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|
Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3
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PubMed
7.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for glucocorticoid receptor


J Med Chem 44: 2879-85 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50103251
PNG
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)
Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|
Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3
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PubMed
95n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for glucocorticoid receptor


J Med Chem 44: 2879-85 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50103251
PNG
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)
Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|
Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3
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1.56E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for progesterone receptor


J Med Chem 44: 2879-85 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50103251
PNG
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)
Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|
Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for progesterone receptor


J Med Chem 44: 2879-85 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50103251
PNG
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)
Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|
Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3
PDB
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for mineralocorticoid receptor


J Med Chem 44: 2879-85 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50103251
PNG
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)
Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|
Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
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>5.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for androgen receptor


J Med Chem 44: 2879-85 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50103251
PNG
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)
Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|
Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3
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PubMed
n/an/a 67n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Transcriptional repression activity in HEP G2 cells expressing glucocorticoid receptor compared to dexamethasone


J Med Chem 44: 2879-85 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50103251
PNG
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)
Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|
Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3
PDB

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PubMed
n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Repression activity of GR ligand with interleukin-6 receptor in native cell assay using dexamethasone was determined as maximal potency


J Med Chem 44: 2879-85 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50103251
PNG
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)
Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|
Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3
PDB

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PubMed
n/an/a 107n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing glucocorticoid receptor


J Med Chem 44: 2879-85 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50103251
PNG
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)
Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|
Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3
PDB

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PubMed
n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Transcriptional repression of IL-1 stimulated IL-6 expression in native cells compared to dexamethasone


J Med Chem 44: 2879-85 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50103251
PNG
(5-(3,5-Dichloro-phenyl)-10-methoxy-2,2,4-trimethyl...)
Show SMILES COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|
Show InChI InChI=1S/C26H23Cl2NO2/c1-14-13-26(2,3)29-19-9-8-18-23-20(30-4)6-5-7-21(23)31-25(24(18)22(14)19)15-10-16(27)12-17(28)11-15/h5-13,25,29H,1-4H3
PDB

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PubMed
n/an/a 139n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Glucocorticoid-induced aromatase activity in human skin fibroblasts


J Med Chem 44: 2879-85 (2001)


BindingDB Entry DOI: 10.7270/Q2ZG6RJP
More data for this
Ligand-Target Pair