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SMILES: C[C@H]1Nc2cc3n(C)c(=O)cc(c3cc2C1(C)C)C(F)(F)F

InChI Key: InChIKey=WHJQDVRYEXYKBA-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 = 50069072   
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))
BDBM50069072
PNG
((R)-2,3,3,8-Tetramethyl-5-trifluoromethyl-1,2,3,8-...)
Show SMILES C[C@H]1Nc2cc3n(C)c(=O)cc(c3cc2C1(C)C)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-8-15(2,3)11-5-9-10(16(17,18)19)6-14(22)21(4)13(9)7-12(11)20-8/h5-8,20H,1-4H3/t8-/m1/s1
PDB
MMDB

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PC cid
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PubMed
9n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Androgen receptor transfected into COS cells


Bioorg Med Chem Lett 8: 745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50069072
PNG
((R)-2,3,3,8-Tetramethyl-5-trifluoromethyl-1,2,3,8-...)
Show SMILES C[C@H]1Nc2cc3n(C)c(=O)cc(c3cc2C1(C)C)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-8-15(2,3)11-5-9-10(16(17,18)19)6-14(22)21(4)13(9)7-12(11)20-8/h5-8,20H,1-4H3/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 22n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Androgen receptor transfected into COS cells


Bioorg Med Chem Lett 8: 745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50069072
PNG
((R)-2,3,3,8-Tetramethyl-5-trifluoromethyl-1,2,3,8-...)
Show SMILES C[C@H]1Nc2cc3n(C)c(=O)cc(c3cc2C1(C)C)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-8-15(2,3)11-5-9-10(16(17,18)19)6-14(22)21(4)13(9)7-12(11)20-8/h5-8,20H,1-4H3/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 380n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonistic activity (EC50) against human androgen receptor (hAR) in cotransfected CV-1 cell


Bioorg Med Chem Lett 8: 745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair