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2 similar compounds to monomer 50068087

Compile data set for download or QSAR
Wt: 241.2
BDBM50068092
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Wt: 265.3
BDBM50068095

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50068092,50068095   
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))
BDBM50068092
PNG
(CHEMBL3402220)
Show SMILES OC(=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C15H15NO2/c17-15(18)13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h1-2,5-8H,3-4,9-10H2,(H,17,18)
PDB
MMDB

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Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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))
BDBM50068095
PNG
(CHEMBL3402226)
Show SMILES NC(=O)[C@H]1CCCN1c1ccc(C#N)c2ccccc12
Show InChI InChI=1/C16H15N3O/c17-10-11-7-8-14(13-5-2-1-4-12(11)13)19-9-3-6-15(19)16(18)20/h1-2,4-5,7-8,15H,3,6,9H2,(H2,18,20)/t15-/s2
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 21n/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
Androgen Receptor


(Homo sapiens (Human))
BDBM50068095
PNG
(CHEMBL3402226)
Show SMILES NC(=O)[C@H]1CCCN1c1ccc(C#N)c2ccccc12
Show InChI InChI=1/C16H15N3O/c17-10-11-7-8-14(13-5-2-1-4-12(11)13)19-9-3-6-15(19)16(18)20/h1-2,4-5,7-8,15H,3,6,9H2,(H2,18,20)/t15-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/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