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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50377416'   
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))
BDBM50377416
PNG
(CHEMBL256284)
Show SMILES FC(F)(F)C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F9N2O2/c17-14(18,19)4-7-5-29-12-3-10-8(1-11(12)27(7)6-15(20,21)22)9(16(23,24)25)2-13(28)26-10/h1-3,7H,4-6H2,(H,26,28)/t7-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50377416
PNG
(CHEMBL256284)
Show SMILES FC(F)(F)C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F9N2O2/c17-14(18,19)4-7-5-29-12-3-10-8(1-11(12)27(7)6-15(20,21)22)9(16(23,24)25)2-13(28)26-10/h1-3,7H,4-6H2,(H,26,28)/t7-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 23n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human androgen receptor in CV1 cells by transcriptional activation assay


Bioorg Med Chem Lett 18: 2967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.062
BindingDB Entry DOI: 10.7270/Q2R2128X
More data for this
Ligand-Target Pair