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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50298211'   
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))
BDBM50298211
PNG
((S)-2-chloro-4-((1-isopropyl-5-oxopyrrolidin-3-yl)...)
Show SMILES CC(C)N1C[C@H](CC1=O)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C22H24ClN3O/c1-15(2)25-14-20(11-22(25)27)26(13-18-7-5-4-6-16(18)3)19-9-8-17(12-24)21(23)10-19/h4-10,15,20H,11,13-14H2,1-3H3/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


Bioorg Med Chem Lett 19: 4664-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298211
PNG
((S)-2-chloro-4-((1-isopropyl-5-oxopyrrolidin-3-yl)...)
Show SMILES CC(C)N1C[C@H](CC1=O)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C22H24ClN3O/c1-15(2)25-14-20(11-22(25)27)26(13-18-7-5-4-6-16(18)3)19-9-8-17(12-24)21(23)10-19/h4-10,15,20H,11,13-14H2,1-3H3/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 2n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4664-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T
More data for this
Ligand-Target Pair