BindingDB logo
myBDB logout

null

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

InChI Key: InChIKey=PGOAGJVPXTWBGW-MRVPVSSYSA-N

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 = 50076709   
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))
BDBM50076709
PNG
((R)-7,7,8-Trimethyl-4-trifluoromethyl-6,7,8,9-tetr...)
Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(C)C)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-8-15(2,3)7-9-4-10-11(16(17,18)19)5-14(22)21-13(10)6-12(9)20-8/h4-6,8,20H,7H2,1-3H3,(H,21,22)/t8-/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
82n/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))
BDBM50076709
PNG
((R)-7,7,8-Trimethyl-4-trifluoromethyl-6,7,8,9-tetr...)
Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(C)C)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-8-15(2,3)7-9-4-10-11(16(17,18)19)5-14(22)21-13(10)6-12(9)20-8/h4-6,8,20H,7H2,1-3H3,(H,21,22)/t8-/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/a 24n/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))
BDBM50076709
PNG
((R)-7,7,8-Trimethyl-4-trifluoromethyl-6,7,8,9-tetr...)
Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(C)C)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-8-15(2,3)7-9-4-10-11(16(17,18)19)5-14(22)21-13(10)6-12(9)20-8/h4-6,8,20H,7H2,1-3H3,(H,21,22)/t8-/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
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