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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen Receptor' and Ligand = 'BDBM50076704'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen Receptor


(Homo sapiens (Human))
BDBM50076704
PNG
((6S,8R)-6-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9...)
Show SMILES CC[C@H]1C[C@@H](C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-8(2)20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(22)21-14/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9+/m1/s1
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PC cid
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Article
PubMed
23n/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)


Article DOI: 10.1016/s0960-894x(99)00119-5
BindingDB Entry DOI: 10.7270/Q2F18XWV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076704
PNG
((6S,8R)-6-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9...)
Show SMILES CC[C@H]1C[C@@H](C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-8(2)20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(22)21-14/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9+/m1/s1
PDB
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PC cid
PC sid
UniChem

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


Article DOI: 10.1016/s0960-894x(99)00119-5
BindingDB Entry DOI: 10.7270/Q2F18XWV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50076704
PNG
((6S,8R)-6-Ethyl-8-methyl-4-trifluoromethyl-6,7,8,9...)
Show SMILES CC[C@H]1C[C@@H](C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-8(2)20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(22)21-14/h5-9,20H,3-4H2,1-2H3,(H,21,22)/t8-,9+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 66n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(99)00119-5
BindingDB Entry DOI: 10.7270/Q2F18XWV
More data for this
Ligand-Target Pair