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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 388.3
BDBM50198672

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))
BDBM50198672
PNG
(CHEMBL3939561)
Show SMILES COc1cc2oc(=O)cc(C)c2cc1-c1ccc(C#N)n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H17FN2O3/c1-14-9-23(27)29-22-11-21(28-2)19(10-18(14)22)20-8-7-17(12-25)26(20)13-15-3-5-16(24)6-4-15/h3-11H,13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 570n/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