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BDBM50355943 CHEMBL1910412

SMILES: CC(C)(CO)[C@@H]1C[C@H](NC=O)c2cc(ccc2N1)[N+]([O-])=O

InChI Key: InChIKey=BZVUAIICBCMZQI-STQMWFEESA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50355943   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50355943
PNG
(CHEMBL1910412)
Show SMILES CC(C)(CO)[C@@H]1C[C@H](NC=O)c2cc(ccc2N1)[N+]([O-])=O |r|
Show InChI InChI=1S/C14H19N3O4/c1-14(2,7-18)13-6-12(15-8-19)10-5-9(17(20)21)3-4-11(10)16-13/h3-5,8,12-13,16,18H,6-7H2,1-2H3,(H,15,19)/t12-,13-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive binding affinity to rat androgen receptor


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair