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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50298028'   
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))
BDBM50298028
PNG
((S)-2-chloro-4-((1-methylpyrrolidin-3-yl)(2-(trifl...)
Show SMILES CN1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H19ClF3N3/c1-26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
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n/an/a 16n/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
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50298028
PNG
((S)-2-chloro-4-((1-methylpyrrolidin-3-yl)(2-(trifl...)
Show SMILES CN1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H19ClF3N3/c1-26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
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antibodypedia
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PC sid
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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PR


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50298028
PNG
((S)-2-chloro-4-((1-methylpyrrolidin-3-yl)(2-(trifl...)
Show SMILES CN1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H19ClF3N3/c1-26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
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PC cid
PC sid
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PubMed
n/an/an/an/a 9n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at PR in human T47D cells


Bioorg Med Chem Lett 20: 371-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.092
BindingDB Entry DOI: 10.7270/Q2057G17
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50298028
PNG
((S)-2-chloro-4-((1-methylpyrrolidin-3-yl)(2-(trifl...)
Show SMILES CN1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H19ClF3N3/c1-26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
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Article
PubMed
n/an/an/an/a 3n/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
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50298028
PNG
((S)-2-chloro-4-((1-methylpyrrolidin-3-yl)(2-(trifl...)
Show SMILES CN1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H19ClF3N3/c1-26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/an/an/a 9n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at PR expressed in human T47D cells


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
3D
3D Structure (crystal)