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SMILES: CC1(C)NC(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

InChI Key: InChIKey=XWXYUMMDTVBTOU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50135912   
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))
BDBM50135912
PNG
(5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitr...)
Show SMILES CC1(C)NC(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)
PDB
MMDB

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KEGG

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CHEMBL
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MCE
KEGG
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PC sid
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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate


J Med Chem 47: 5690-9 (2004)


Article DOI: 10.1021/jm0495226
BindingDB Entry DOI: 10.7270/Q2X066HG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50135912
PNG
(5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitr...)
Show SMILES CC1(C)NC(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
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CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents

DrugBank
n/an/a 600n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50135912
PNG
(5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitr...)
Show SMILES CC1(C)NC(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents

DrugBank
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibition of 1.0 nM [3H]mibolerone binding to human androgen receptor of PC3/AR cell lysate


J Med Chem 46: 5258-70 (2003)


Article DOI: 10.1021/jm0303305
BindingDB Entry DOI: 10.7270/Q27D2VV7
More data for this
Ligand-Target Pair