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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Androgen Receptor' and Ligand = 'BDBM50238125'   
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))
BDBM50238125
PNG
(CHEMBL4090028)
Show SMILES C[C@H]1[C@@H](O)CCN1c1ccc(C#N)c(Cl)c1C |r|
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.190n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL




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


Article DOI: 10.1016/j.bmcl.2017.03.038
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50238125
PNG
(CHEMBL4090028)
Show SMILES C[C@H]1[C@@H](O)CCN1c1ccc(C#N)c(Cl)c1C |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.720n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 3330-3349 (2017)


Article DOI: 10.1016/j.bmc.2017.04.018
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50238125
PNG
(CHEMBL4090028)
Show SMILES C[C@H]1[C@@H](O)CCN1c1ccc(C#N)c(Cl)c1C |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.720n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP, competitive inhibition


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


Article DOI: 10.1016/j.bmcl.2017.03.038
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50238125
PNG
(CHEMBL4090028)
Show SMILES C[C@H]1[C@@H](O)CCN1c1ccc(C#N)c(Cl)c1C |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 0.190n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 3330-3349 (2017)


Article DOI: 10.1016/j.bmc.2017.04.018
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)