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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 280.3
BDBM50251664
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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))
BDBM50251664
PNG
(3-Phenyl-1-propylquinazoline-2,4(1H,3H)-dione | CH...)
Show SMILES CCCn1c2ccccc2c(=O)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C17H16N2O2/c1-2-12-18-15-11-7-6-10-14(15)16(20)19(17(18)21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor expressed in CHO cells assessed as inhibition of progesterone-induced luciferase activity by repor...


Bioorg Med Chem 16: 7046-54 (2008)


Article DOI: 10.1016/j.bmc.2008.05.016
BindingDB Entry DOI: 10.7270/Q2VX0G9H
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50251664
PNG
(3-Phenyl-1-propylquinazoline-2,4(1H,3H)-dione | CH...)
Show SMILES CCCn1c2ccccc2c(=O)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C17H16N2O2/c1-2-12-18-15-11-7-6-10-14(15)16(20)19(17(18)21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity


Bioorg Med Chem 16: 7046-54 (2008)


Article DOI: 10.1016/j.bmc.2008.05.016
BindingDB Entry DOI: 10.7270/Q2VX0G9H
More data for this
Ligand-Target Pair