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

InChI Key: InChIKey=XBVYEKYLTSWRCK-MRXNPFEDSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50076718   
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))
BDBM50076718
PNG
((R)-7,7,8-Triethyl-4-trifluoromethyl-6,7,8,9-tetra...)
Show SMILES CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(CC)CC)C(F)(F)F
Show InChI InChI=1S/C19H23F3N2O/c1-4-16-18(5-2,6-3)10-11-7-12-13(19(20,21)22)8-17(25)24-15(12)9-14(11)23-16/h7-9,16,23H,4-6,10H2,1-3H3,(H,24,25)/t16-/m1/s1
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PC cid
PC sid
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PubMed
42n/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))
BDBM50076718
PNG
((R)-7,7,8-Triethyl-4-trifluoromethyl-6,7,8,9-tetra...)
Show SMILES CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(CC)CC)C(F)(F)F
Show InChI InChI=1S/C19H23F3N2O/c1-4-16-18(5-2,6-3)10-11-7-12-13(19(20,21)22)8-17(25)24-15(12)9-14(11)23-16/h7-9,16,23H,4-6,10H2,1-3H3,(H,24,25)/t16-/m1/s1
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PubMed
n/an/a 48n/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))
BDBM50076718
PNG
((R)-7,7,8-Triethyl-4-trifluoromethyl-6,7,8,9-tetra...)
Show SMILES CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(CC)CC)C(F)(F)F
Show InChI InChI=1S/C19H23F3N2O/c1-4-16-18(5-2,6-3)10-11-7-12-13(19(20,21)22)8-17(25)24-15(12)9-14(11)23-16/h7-9,16,23H,4-6,10H2,1-3H3,(H,24,25)/t16-/m1/s1
PDB
MMDB

NCI pathway
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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/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