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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50154003'   
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))
BDBM50154003
PNG
(11-Dodecyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13...)
Show SMILES CCCCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:25,32|
Show InChI InChI=1S/C30H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-23-21-30(2)27(18-19-28(30)32)26-16-14-22-20-24(31)15-17-25(22)29(23)26/h20,23,26-28,32H,3-19,21H2,1-2H3/t23-,26?,27?,28-,30-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human androgen receptor expressed in Escherichia coli


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50154003
PNG
(11-Dodecyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13...)
Show SMILES CCCCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:25,32|
Show InChI InChI=1S/C30H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-23-21-30(2)27(18-19-28(30)32)26-16-14-22-20-24(31)15-17-25(22)29(23)26/h20,23,26-28,32H,3-19,21H2,1-2H3/t23-,26?,27?,28-,30-/m0/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/a 19n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation


J Med Chem 47: 4985-8 (2004)


Article DOI: 10.1021/jm0342515
BindingDB Entry DOI: 10.7270/Q2WW7JFR
More data for this
Ligand-Target Pair