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BDBM50329721 (2S)-3-(4-(3-(4-(1-benzyl-4-hydroxypyrrolidin-3-yloxy)-3-methylphenyl)pentan-3-yl)-2-methylphenoxy)propane-1,2-diol::CHEMBL1271360

SMILES: CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(Cc3ccccc3)C[C@@H]2O)c(C)c1

InChI Key: InChIKey=YCPVKNYDGKOLNV-YFMFSDRQNA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50329721   
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


(Mus musculus)
BDBM50329721
PNG
((2S)-3-(4-(3-(4-(1-benzyl-4-hydroxypyrrolidin-3-yl...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(Cc3ccccc3)C[C@@H]2O)c(C)c1
Show InChI InChI=1/C33H43NO5/c1-5-33(6-2,26-12-14-30(23(3)16-26)38-22-28(36)21-35)27-13-15-31(24(4)17-27)39-32-20-34(19-29(32)37)18-25-10-8-7-9-11-25/h7-17,28-29,32,35-37H,5-6,18-22H2,1-4H3/t28-,29-,32+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferati...


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50329721
PNG
((2S)-3-(4-(3-(4-(1-benzyl-4-hydroxypyrrolidin-3-yl...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(Cc3ccccc3)C[C@@H]2O)c(C)c1
Show InChI InChI=1/C33H43NO5/c1-5-33(6-2,26-12-14-30(23(3)16-26)38-22-28(36)21-35)27-13-15-31(24(4)17-27)39-32-20-34(19-29(32)37)18-25-10-8-7-9-11-25/h7-17,28-29,32,35-37H,5-6,18-22H2,1-4H3/t28-,29-,32+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Vitamin-D activity at VDR receptor in human HL60 cells assessed as induction of cell differentiation by NBT reduction assay


Bioorg Med Chem Lett 20: 6661-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.011
BindingDB Entry DOI: 10.7270/Q20K29J4
More data for this
Ligand-Target Pair