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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50355216'   
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))
BDBM50355216
PNG
(CHEMBL1835807)
Show SMILES CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccccc1
Show InChI InChI=1S/C19H19NO2/c1-3-20(4-2)17-13-18-15(10-11-19(21)22-18)12-16(17)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase expression after 24 hrs by alkaline...


Bioorg Med Chem 24: 5602-5610 (2016)


Article DOI: 10.1016/j.bmc.2016.09.020
BindingDB Entry DOI: 10.7270/Q2R49SRM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50355216
PNG
(CHEMBL1835807)
Show SMILES CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccccc1
Show InChI InChI=1S/C19H19NO2/c1-3-20(4-2)17-13-18-15(10-11-19(21)22-18)12-16(17)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor in T47D cells after 24 hrs by alkaline phosphatase assay


J Med Chem 54: 7055-65 (2011)


Article DOI: 10.1021/jm2005404
BindingDB Entry DOI: 10.7270/Q27D2VJ6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50355216
PNG
(CHEMBL1835807)
Show SMILES CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccccc1
Show InChI InChI=1S/C19H19NO2/c1-3-20(4-2)17-13-18-15(10-11-19(21)22-18)12-16(17)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.42E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Displacement of [1,2,6,7-3H]progesterone from recombinant human GST-tagged PR-LBD (675 to 933 residues) expressed in baculovirus-infected insect cell...


Bioorg Med Chem 24: 5602-5610 (2016)


Article DOI: 10.1016/j.bmc.2016.09.020
BindingDB Entry DOI: 10.7270/Q2R49SRM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50355216
PNG
(CHEMBL1835807)
Show SMILES CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccccc1
Show InChI InChI=1S/C19H19NO2/c1-3-20(4-2)17-13-18-15(10-11-19(21)22-18)12-16(17)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.42E+3n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Displacement of [1,2,6,7-3H]PG from human PR-LBD after 24 hrs by liquid scintillation counting


J Med Chem 54: 7055-65 (2011)


Article DOI: 10.1021/jm2005404
BindingDB Entry DOI: 10.7270/Q27D2VJ6
More data for this
Ligand-Target Pair