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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen Receptor' and Ligand = 'BDBM50068096'   
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))
BDBM50068096
PNG
(CHEMBL3402227)
Show SMILES N#C[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|
Show InChI InChI=1/C16H13N3/c17-10-12-7-8-16(15-6-2-1-5-14(12)15)19-9-3-4-13(19)11-18/h1-2,5-8,13H,3-4,9H2/t13-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50068096
PNG
(CHEMBL3402227)
Show SMILES N#C[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|
Show InChI InChI=1/C16H13N3/c17-10-12-7-8-16(15-6-2-1-5-14(12)15)19-9-3-4-13(19)11-18/h1-2,5-8,13H,3-4,9H2/t13-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 160n/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Modulation of androgen receptor (unknown origin) expressed in Cos7 cells assessed as luciferase activity after 24 hrs


Bioorg Med Chem 23: 2568-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.032
BindingDB Entry DOI: 10.7270/Q2JM2C94
More data for this
Ligand-Target Pair