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BDBM50049486 1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-enylmethyl)-benzene::CHEMBL50023

SMILES: CC1=CC(=C)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1

InChI Key: InChIKey=RUBRWONSGNOQIS-UHFFFAOYSA-N

Data: 3 KI  5 IC50

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 8 hits for monomerid = 50049486   
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
Progesterone receptor


(Homo sapiens (Human))
BDBM50049486
PNG
(1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-...)
Show SMILES CC1=CC(=C)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
Show InChI InChI=1S/C17H21NO2/c1-12-9-13(2)16(17(3,4)11-12)10-14-5-7-15(8-6-14)18(19)20/h5-9,16H,2,10-11H2,1,3-4H3
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Article
PubMed
54n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity determined for human Progesterone receptor A isoform


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50049486
PNG
(1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-...)
Show SMILES CC1=CC(=C)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
Show InChI InChI=1S/C17H21NO2/c1-12-9-13(2)16(17(3,4)11-12)10-14-5-7-15(8-6-14)18(19)20/h5-9,16H,2,10-11H2,1,3-4H3
PDB

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Article
PubMed
5.42E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity was determined for human glucocorticoid receptor(hGR).


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50049486
PNG
(1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-...)
Show SMILES CC1=CC(=C)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
Show InChI InChI=1S/C17H21NO2/c1-12-9-13(2)16(17(3,4)11-12)10-14-5-7-15(8-6-14)18(19)20/h5-9,16H,2,10-11H2,1,3-4H3
PDB
MMDB

NCI pathway
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Article
PubMed
6.30E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity determined against human Androgen receptor


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50049486
PNG
(1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-...)
Show SMILES CC1=CC(=C)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
Show InChI InChI=1S/C17H21NO2/c1-12-9-13(2)16(17(3,4)11-12)10-14-5-7-15(8-6-14)18(19)20/h5-9,16H,2,10-11H2,1,3-4H3
PDB
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human mineralocorticoid receptor (hMR)


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50049486
PNG
(1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-...)
Show SMILES CC1=CC(=C)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
Show InChI InChI=1S/C17H21NO2/c1-12-9-13(2)16(17(3,4)11-12)10-14-5-7-15(8-6-14)18(19)20/h5-9,16H,2,10-11H2,1,3-4H3
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 186n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic potency to the human progesterone receptor measured in the T-47D alkaline phosphatase assay


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50049486
PNG
(1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-...)
Show SMILES CC1=CC(=C)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
Show InChI InChI=1S/C17H21NO2/c1-12-9-13(2)16(17(3,4)11-12)10-14-5-7-15(8-6-14)18(19)20/h5-9,16H,2,10-11H2,1,3-4H3
PDB

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Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to give half-maximal inhibition against human Progesterone receptor B isoform in co-transfected CV-1 cell lines.


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50049486
PNG
(1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-...)
Show SMILES CC1=CC(=C)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
Show InChI InChI=1S/C17H21NO2/c1-12-9-13(2)16(17(3,4)11-12)10-14-5-7-15(8-6-14)18(19)20/h5-9,16H,2,10-11H2,1,3-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human Androgen receptor


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50049486
PNG
(1-Nitro-4-(4,6,6-trimethyl-2-methylene-cyclohex-3-...)
Show SMILES CC1=CC(=C)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
Show InChI InChI=1S/C17H21NO2/c1-12-9-13(2)16(17(3,4)11-12)10-14-5-7-15(8-6-14)18(19)20/h5-9,16H,2,10-11H2,1,3-4H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

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



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human glucocorticoid receptor (hGR)


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair