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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen Receptor' and Ligand = 'BDBM242588'   
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))
BDBM242588
PNG
(US10053433, FC 4.039)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)CCl)c(c1)C(F)(F)F
Show InChI InChI=1/C19H17ClF4N2O5S/c1-18(29,10-32(30,31)13-5-2-11(21)3-6-13)17(28)25-12-4-7-15(26-16(27)9-20)14(8-12)19(22,23)24/h2-8,29H,9-10H2,1H3,(H,25,28)(H,26,27)/t18-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 750n/an/an/an/a7.5n/a



The Regents of the University of California

US Patent


Assay Description
Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...


US Patent US10053433 (2018)


Article DOI: 10.1016/j.bmcl.2003.12.008
BindingDB Entry DOI: 10.7270/Q2R78H77
More data for this
Ligand-Target Pair