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SMILES: CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(C)C)C(F)(F)F

InChI Key: InChIKey=FXDBHLKOPNALNO-CQSZACIVSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50076715   
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))
BDBM50076715
PNG
((R)-8-Ethyl-7,7-dimethyl-4-trifluoromethyl-6,7,8,9...)
Show SMILES CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(C)C)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-4-14-16(2,3)8-9-5-10-11(17(18,19)20)6-15(23)22-13(10)7-12(9)21-14/h5-7,14,21H,4,8H2,1-3H3,(H,22,23)/t14-/m1/s1
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PC cid
PC sid
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PubMed
50n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay


Bioorg Med Chem Lett 9: 1009-12 (1999)


BindingDB Entry DOI: 10.7270/Q2F18XWV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50076715
PNG
((R)-8-Ethyl-7,7-dimethyl-4-trifluoromethyl-6,7,8,9...)
Show SMILES CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(C)C)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-4-14-16(2,3)8-9-5-10-11(17(18,19)20)6-15(23)22-13(10)7-12(9)21-14/h5-7,14,21H,4,8H2,1-3H3,(H,22,23)/t14-/m1/s1
PDB
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PubMed
n/an/a 42n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines


Bioorg Med Chem Lett 9: 1009-12 (1999)


BindingDB Entry DOI: 10.7270/Q2F18XWV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50076715
PNG
((R)-8-Ethyl-7,7-dimethyl-4-trifluoromethyl-6,7,8,9...)
Show SMILES CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(C)C)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-4-14-16(2,3)8-9-5-10-11(17(18,19)20)6-15(23)22-13(10)7-12(9)21-14/h5-7,14,21H,4,8H2,1-3H3,(H,22,23)/t14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a<1.00E+4n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines


Bioorg Med Chem Lett 9: 1009-12 (1999)


BindingDB Entry DOI: 10.7270/Q2F18XWV
More data for this
Ligand-Target Pair