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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50368314'   
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


(Rattus norvegicus (Rat))
BDBM50368314
PNG
(ZANOTERONE)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nn(cc5C[C@]34C)S(C)(=O)=O)[C@@H]1CC[C@@]2(O)C#C
Show InChI InChI=1S/C23H32N2O3S/c1-5-23(26)11-9-19-17-7-6-16-12-20-15(14-25(24-20)29(4,27)28)13-21(16,2)18(17)8-10-22(19,23)3/h1,14,16-19,26H,6-13H2,2-4H3/t16-,17+,18-,19-,21-,22-,23-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881


J Med Chem 35: 1663-70 (1992)


BindingDB Entry DOI: 10.7270/Q2JH3MSN
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50368314
PNG
(ZANOTERONE)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nn(cc5C[C@]34C)S(C)(=O)=O)[C@@H]1CC[C@@]2(O)C#C
Show InChI InChI=1S/C23H32N2O3S/c1-5-23(26)11-9-19-17-7-6-16-12-20-15(14-25(24-20)29(4,27)28)13-21(16,2)18(17)8-10-22(19,23)3/h1,14,16-19,26H,6-13H2,2-4H3/t16-,17+,18-,19-,21-,22-,23-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
2.20E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
In vivo binding affinity fot cytosolic androgen receptor


J Med Chem 43: 4629-35 (2001)


BindingDB Entry DOI: 10.7270/Q2ZK5HC6
More data for this
Ligand-Target Pair