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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 314.3
BDBM50401598

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
BDBM50401598
PNG
(CHEMBL2203835)
Show SMILES CCS(=O)(=O)Nc1ccc(-c2ccc(C#N)n2C)c(c1)C#N
Show InChI InChI=1S/C15H14N4O2S/c1-3-22(20,21)18-12-4-6-14(11(8-12)9-16)15-7-5-13(10-17)19(15)2/h4-8,18H,3H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 128n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against progesterone receptor in human T47D cells by alkaline phosphatase assay


Bioorg Med Chem Lett 22: 7119-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.077
BindingDB Entry DOI: 10.7270/Q2S183NW
More data for this
Ligand-Target Pair