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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50063125'   
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))
BDBM50063125
PNG
(8-Methyl-8-propyl-4-trifluoromethyl-6,7,8,9-tetrah...)
Show SMILES CCCC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-3-5-16(2)6-4-10-7-11-12(17(18,19)20)8-15(23)21-14(11)9-13(10)22-16/h7-9,22H,3-6H2,1-2H3,(H,21,23)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
69n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50063125
PNG
(8-Methyl-8-propyl-4-trifluoromethyl-6,7,8,9-tetrah...)
Show SMILES CCCC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-3-5-16(2)6-4-10-7-11-12(17(18,19)20)8-15(23)21-14(11)9-13(10)22-16/h7-9,22H,3-6H2,1-2H3,(H,21,23)
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/a 42n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.


J Med Chem 41: 623-39 (1998)


Article DOI: 10.1021/jm970699s
BindingDB Entry DOI: 10.7270/Q2VM4CZ6
More data for this
Ligand-Target Pair