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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Progesterone receptor' and Ligand = 'BDBM50304962'   
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))
BDBM50304962
PNG
(2-chloro-4-((5-fluoro-2-methylbenzyl)((S)-1-((S)-2...)
Show SMILES C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C22H23ClFN3O2/c1-14-3-5-18(24)9-17(14)12-27(19-6-4-16(11-25)21(23)10-19)20-7-8-26(13-20)22(29)15(2)28/h3-6,9-10,15,20,28H,7-8,12-13H2,1-2H3/t15-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 79n/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))
BDBM50304962
PNG
(2-chloro-4-((5-fluoro-2-methylbenzyl)((S)-1-((S)-2...)
Show SMILES C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C22H23ClFN3O2/c1-14-3-5-18(24)9-17(14)12-27(19-6-4-16(11-25)21(23)10-19)20-7-8-26(13-20)22(29)15(2)28/h3-6,9-10,15,20,28H,7-8,12-13H2,1-2H3/t15-,20-/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 183n/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