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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50238126'   
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))
BDBM50238126
PNG
(CHEMBL4068946)
Show SMILES C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C13H15ClN2O/c1-9-13(2,17)5-6-16(9)11-4-3-10(8-15)12(14)7-11/h3-4,7,9,17H,5-6H2,1-2H3/t9-,13-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.320n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor (unknown origin) expressed in African green monkey COS7 cells after 24 hrs by MMTV-promoter driven luciferase r...


Bioorg Med Chem Lett 27: 1897-1901 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.038
BindingDB Entry DOI: 10.7270/Q2G16335
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50238126
PNG
(CHEMBL4068946)
Show SMILES C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C13H15ClN2O/c1-9-13(2,17)5-6-16(9)11-4-3-10(8-15)12(14)7-11/h3-4,7,9,17H,5-6H2,1-2H3/t9-,13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.520n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [17-alpha-methyl-H-3] mibolerone from wild-type androgen receptor (unknown origin) expressed in Freestyle293F cells measured after 3 ...


Bioorg Med Chem Lett 27: 1897-1901 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.038
BindingDB Entry DOI: 10.7270/Q2G16335
More data for this
Ligand-Target Pair