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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50356994   
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
Androgen receptor


(Homo sapiens (Human))
BDBM50356994
PNG
(CHEMBL1916250)
Show SMILES CC1(C)[C@H](NC(=O)c2ccn(CCO)n2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:18.20,(-6.58,-47.2,;-6.17,-45.72,;-7.67,-46.11,;-4.63,-45.72,;-3.28,-46.46,;-3.25,-48,;-4.57,-48.8,;-1.9,-48.75,;-1.88,-50.28,;-.41,-50.74,;.48,-49.48,;2.02,-49.47,;2.8,-50.79,;4.34,-50.78,;-.44,-48.25,;-4.63,-44.18,;-4.24,-42.68,;-3.15,-44.57,;-6.17,-44.18,;-7.5,-43.4,;-7.49,-41.86,;-8.82,-41.1,;-8.82,-39.56,;-7.48,-38.79,;-7.48,-37.25,;-7.47,-35.72,;-6.15,-39.56,;-4.82,-38.8,;-6.16,-41.1,)|
Show InChI InChI=1S/C21H25ClN4O3/c1-20(2)18(24-17(28)16-7-8-26(25-16)9-10-27)21(3,4)19(20)29-14-6-5-13(12-23)15(22)11-14/h5-8,11,18-19,27H,9-10H2,1-4H3,(H,24,28)/t18-,19-
PDB
MMDB

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PC cid
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Similars

Article
PubMed
n/an/a 136n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human AR overexpressed in human LNCAP cells by luciferase reporter gene assay


J Med Chem 54: 7693-704 (2011)


Article DOI: 10.1021/jm201059s
BindingDB Entry DOI: 10.7270/Q2348KS9
More data for this
Ligand-Target Pair