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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50063103'   
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))
BDBM50063103
PNG
(7,8,8-Trimethyl-4-trifluoromethyl-6,7,8,9-tetrahyd...)
Show SMILES CC1Cc2cc3c(cc(=O)[nH]c3cc2NC1(C)C)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-8-4-9-5-10-11(16(17,18)19)6-14(22)20-13(10)7-12(9)21-15(8,2)3/h5-8,21H,4H2,1-3H3,(H,20,22)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
73n/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))
BDBM50063103
PNG
(7,8,8-Trimethyl-4-trifluoromethyl-6,7,8,9-tetrahyd...)
Show SMILES CC1Cc2cc3c(cc(=O)[nH]c3cc2NC1(C)C)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O/c1-8-4-9-5-10-11(16(17,18)19)6-14(22)20-13(10)7-12(9)21-15(8,2)3/h5-8,21H,4H2,1-3H3,(H,20,22)
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 30n/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