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SMILES: C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F

InChI Key: InChIKey=GRGCFVNQPFBNIA-GVHYBUMESA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50077115   
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))
BDBM50077115
PNG
(CHEMBL282204 | Cis-6,7-Dimethyl-4-trifluoromethyl-...)
Show SMILES C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O/c1-7-6-19-12-5-13-10(3-9(12)8(7)2)11(15(16,17)18)4-14(21)20-13/h3-5,7-8,19H,6H2,1-2H3,(H,20,21)/t7-,8?/m1/s1
PDB
MMDB

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PC cid
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PubMed
8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50077115
PNG
(CHEMBL282204 | Cis-6,7-Dimethyl-4-trifluoromethyl-...)
Show SMILES C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O/c1-7-6-19-12-5-13-10(3-9(12)8(7)2)11(15(16,17)18)4-14(21)20-13/h3-5,7-8,19H,6H2,1-2H3,(H,20,21)/t7-,8?/m1/s1
PDB
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Similars

PubMed
n/an/an/an/a 22n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50077115
PNG
(CHEMBL282204 | Cis-6,7-Dimethyl-4-trifluoromethyl-...)
Show SMILES C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O/c1-7-6-19-12-5-13-10(3-9(12)8(7)2)11(15(16,17)18)4-14(21)20-13/h3-5,7-8,19H,6H2,1-2H3,(H,20,21)/t7-,8?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

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



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells was determined as a function of maximal inhibition of dihydrotestosterone u...


Bioorg Med Chem Lett 9: 1335-40 (1999)


BindingDB Entry DOI: 10.7270/Q2JM2B4G
More data for this
Ligand-Target Pair