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BDBM50415098 CHEMBL570898

SMILES: N#Cc1ccc(N2CCCC2)c2ccccc12

InChI Key: InChIKey=JFYXSLMZYFZVGC-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50415098   
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


(Homo sapiens (Human))
BDBM50415098
PNG
(CHEMBL570898)
Show SMILES N#Cc1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C15H14N2/c16-11-12-7-8-15(17-9-3-4-10-17)14-6-2-1-5-13(12)14/h1-2,5-8H,3-4,9-10H2
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/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


(Mus musculus)
BDBM50415098
PNG
(CHEMBL570898)
Show SMILES N#Cc1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C15H14N2/c16-11-12-7-8-15(17-9-3-4-10-17)14-6-2-1-5-13(12)14/h1-2,5-8H,3-4,9-10H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 15.8n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50415098
PNG
(CHEMBL570898)
Show SMILES N#Cc1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C15H14N2/c16-11-12-7-8-15(17-9-3-4-10-17)14-6-2-1-5-13(12)14/h1-2,5-8H,3-4,9-10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.5n/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