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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50304979'   
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))
BDBM50304979
PNG
((S)-methyl 3-((3-chloro-4-cyanophenyl)(2,3-difluor...)
Show SMILES COC(=O)N1CC[C@@H](C1)N(Cc1cccc(F)c1F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H18ClF2N3O2/c1-28-20(27)25-8-7-16(12-25)26(11-14-3-2-4-18(22)19(14)23)15-6-5-13(10-24)17(21)9-15/h2-6,9,16H,7-8,11-12H2,1H3/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 20n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50304979
PNG
((S)-methyl 3-((3-chloro-4-cyanophenyl)(2,3-difluor...)
Show SMILES COC(=O)N1CC[C@@H](C1)N(Cc1cccc(F)c1F)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H18ClF2N3O2/c1-28-20(27)25-8-7-16(12-25)26(11-14-3-2-4-18(22)19(14)23)15-6-5-13(10-24)17(21)9-15/h2-6,9,16H,7-8,11-12H2,1H3/t16-/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 137n/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