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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50304958   
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))
BDBM50304958
PNG
((S)-2-chloro-4-((5-fluoro-2-methylbenzyl)(1-propio...)
Show SMILES CCC(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C22H23ClFN3O/c1-3-22(28)26-9-8-20(14-26)27(13-17-10-18(24)6-4-15(17)2)19-7-5-16(12-25)21(23)11-19/h4-7,10-11,20H,3,8-9,13-14H2,1-2H3/t20-/m0/s1
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n/an/a 25n/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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50304958
PNG
((S)-2-chloro-4-((5-fluoro-2-methylbenzyl)(1-propio...)
Show SMILES CCC(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C22H23ClFN3O/c1-3-22(28)26-9-8-20(14-26)27(13-17-10-18(24)6-4-15(17)2)19-7-5-16(12-25)21(23)11-19/h4-7,10-11,20H,3,8-9,13-14H2,1-2H3/t20-/m0/s1
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Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50304958
PNG
((S)-2-chloro-4-((5-fluoro-2-methylbenzyl)(1-propio...)
Show SMILES CCC(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C22H23ClFN3O/c1-3-22(28)26-9-8-20(14-26)27(13-17-10-18(24)6-4-15(17)2)19-7-5-16(12-25)21(23)11-19/h4-7,10-11,20H,3,8-9,13-14H2,1-2H3/t20-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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