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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50073111'   
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))
BDBM50073111
PNG
(CHEMBL3084689)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](O)C1)N2c1ccc(C#N)c(Cl)c1 |r,TLB:8:7:10:2.3|
Show InChI InChI=1S/C14H15ClN2O/c15-14-7-12(2-1-9(14)8-16)17-10-3-4-11(17)6-13(18)5-10/h1-2,7,10-11,13,18H,3-6H2/t10-,11+,13+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 31.7n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional ac...


J Med Chem 58: 1569-74 (2015)


Article DOI: 10.1021/jm501995n
BindingDB Entry DOI: 10.7270/Q24X59G2
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50073111
PNG
(CHEMBL3084689)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](O)C1)N2c1ccc(C#N)c(Cl)c1 |r,TLB:8:7:10:2.3|
Show InChI InChI=1S/C14H15ClN2O/c15-14-7-12(2-1-9(14)8-16)17-10-3-4-11(17)6-13(18)5-10/h1-2,7,10-11,13,18H,3-6H2/t10-,11+,13+
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 32n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition


J Med Chem 58: 1569-74 (2015)


Article DOI: 10.1021/jm501995n
BindingDB Entry DOI: 10.7270/Q24X59G2
More data for this
Ligand-Target Pair