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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50201099'   
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))
BDBM50201099
PNG
(4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cccc4CCOc34)C(F)(F)F)cc12
Show InChI InChI=1S/C24H23F3N2O5/c1-13-17-11-15(7-8-16(17)20(30)34-29-13)28-21(31)23(32,24(25,26)27)12-22(2,3)18-6-4-5-14-9-10-33-19(14)18/h4-8,11,32H,9-10,12H2,1-3H3,(H,28,31)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tetramethylrhodamine labeled RU486 binding to PR by FP assay


J Med Chem 49: 7887-96 (2006)


Article DOI: 10.1021/jm061273t
BindingDB Entry DOI: 10.7270/Q2BG2PTB
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50201099
PNG
(4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-...)
Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cccc4CCOc34)C(F)(F)F)cc12
Show InChI InChI=1S/C24H23F3N2O5/c1-13-17-11-15(7-8-16(17)20(30)34-29-13)28-21(31)23(32,24(25,26)27)12-22(2,3)18-6-4-5-14-9-10-33-19(14)18/h4-8,11,32H,9-10,12H2,1-3H3,(H,28,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19.9n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant progesterone receptor expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5835-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.125
BindingDB Entry DOI: 10.7270/Q26974V3
More data for this
Ligand-Target Pair