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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50129165'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Progesterone receptor


(Homo sapiens (Human))
BDBM50129165
PNG
(2,2,4-Trimethyl-9-nitro-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(cc-34)[N+]([O-])=O)c12 |t:1|
Show InChI InChI=1S/C19H18N2O3/c1-11-9-19(2,3)20-16-6-5-13-14-8-12(21(22)23)4-7-17(14)24-10-15(13)18(11)16/h4-9,20H,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

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PubMed
6.80n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human progesterone receptor.


Bioorg Med Chem Lett 13: 2075-8 (2003)


BindingDB Entry DOI: 10.7270/Q2P55P2M
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50129165
PNG
(2,2,4-Trimethyl-9-nitro-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(cc-34)[N+]([O-])=O)c12 |t:1|
Show InChI InChI=1S/C19H18N2O3/c1-11-9-19(2,3)20-16-6-5-13-14-8-12(21(22)23)4-7-17(14)24-10-15(13)18(11)16/h4-9,20H,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
6.80n/an/an/an/an/an/an/an/a



Scientific Computing Ltd.

Curated by ChEMBL


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


J Med Chem 49: 4261-8 (2006)


Article DOI: 10.1021/jm060234e
BindingDB Entry DOI: 10.7270/Q2V69NB6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50129165
PNG
(2,2,4-Trimethyl-9-nitro-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(cc-34)[N+]([O-])=O)c12 |t:1|
Show InChI InChI=1S/C19H18N2O3/c1-11-9-19(2,3)20-16-6-5-13-14-8-12(21(22)23)4-7-17(14)24-10-15(13)18(11)16/h4-9,20H,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 152n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor activation in T47D human breast cancer cell.


Bioorg Med Chem Lett 13: 2075-8 (2003)


BindingDB Entry DOI: 10.7270/Q2P55P2M
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50129165
PNG
(2,2,4-Trimethyl-9-nitro-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(cc-34)[N+]([O-])=O)c12 |t:1|
Show InChI InChI=1S/C19H18N2O3/c1-11-9-19(2,3)20-16-6-5-13-14-8-12(21(22)23)4-7-17(14)24-10-15(13)18(11)16/h4-9,20H,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 257n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for human progesterone receptor in T47D human breast cancer cell


Bioorg Med Chem Lett 13: 2075-8 (2003)


BindingDB Entry DOI: 10.7270/Q2P55P2M
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50129165
PNG
(2,2,4-Trimethyl-9-nitro-2,5-dihydro-1H-6-oxa-1-aza...)
Show SMILES CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(cc-34)[N+]([O-])=O)c12 |t:1|
Show InChI InChI=1S/C19H18N2O3/c1-11-9-19(2,3)20-16-6-5-13-14-8-12(21(22)23)4-7-17(14)24-10-15(13)18(11)16/h4-9,20H,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 29n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human progesterone receptor.


Bioorg Med Chem Lett 13: 2075-8 (2003)


BindingDB Entry DOI: 10.7270/Q2P55P2M
More data for this
Ligand-Target Pair