BindingDB logo
myBDB logout

BDBM50410514 CHEMBL366162

SMILES: C[C@]12CC[C@H]3[C@@H](CCC4(CC(=O)CC[C@]34C)OC(=O)c3ccccc3)[C@@H]1CC[C@@H]2O

InChI Key: InChIKey=OSYWTSQHPJGAAD-WIRGAWDHSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50410514   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50410514
PNG
(CHEMBL366162)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4(CC(=O)CC[C@]34C)OC(=O)c3ccccc3)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C26H34O4/c1-24-13-12-21-19(20(24)8-9-22(24)28)11-15-26(16-18(27)10-14-25(21,26)2)30-23(29)17-6-4-3-5-7-17/h3-7,19-22,28H,8-16H2,1-2H3/t19-,20-,21-,22-,24-,25+,26?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 257n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)


Article DOI: 10.1021/jm050403f
BindingDB Entry DOI: 10.7270/Q2TM7CBZ
More data for this
Ligand-Target Pair