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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50298034'   
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))
BDBM50298034
PNG
((S)-2-(3-((3-chloro-4-cyanophenyl)(2-chlorobenzyl)...)
Show SMILES NC(=O)CN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H20Cl2N4O/c21-18-4-2-1-3-15(18)11-26(16-6-5-14(10-23)19(22)9-16)17-7-8-25(12-17)13-20(24)27/h1-6,9,17H,7-8,11-13H2,(H2,24,27)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to PR by fluorescence polarization based competition binding assay


Bioorg Med Chem Lett 19: 4777-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298034
PNG
((S)-2-(3-((3-chloro-4-cyanophenyl)(2-chlorobenzyl)...)
Show SMILES NC(=O)CN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H20Cl2N4O/c21-18-4-2-1-3-15(18)11-26(16-6-5-14(10-23)19(22)9-16)17-7-8-25(12-17)13-20(24)27/h1-6,9,17H,7-8,11-13H2,(H2,24,27)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at PR expressed in african green monkey CV-1 cells by luciferase reporter assay


Bioorg Med Chem Lett 19: 4777-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.055
BindingDB Entry DOI: 10.7270/Q2TB16XG
More data for this
Ligand-Target Pair