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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50298032'   
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))
BDBM50298032
PNG
((S)-2-chloro-4-((2-chlorobenzyl)(1-(cyanomethyl)py...)
Show SMILES Clc1ccccc1CN([C@H]1CCN(CC#N)C1)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H18Cl2N4/c21-19-4-2-1-3-16(19)13-26(18-7-9-25(14-18)10-8-23)17-6-5-15(12-24)20(22)11-17/h1-6,11,18H,7,9-10,13-14H2/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8n/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))
BDBM50298032
PNG
((S)-2-chloro-4-((2-chlorobenzyl)(1-(cyanomethyl)py...)
Show SMILES Clc1ccccc1CN([C@H]1CCN(CC#N)C1)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H18Cl2N4/c21-19-4-2-1-3-16(19)13-26(18-7-9-25(14-18)10-8-23)17-6-5-15(12-24)20(22)11-17/h1-6,11,18H,7,9-10,13-14H2/t18-/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 0.5n/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