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BDBM50430749 CHEMBL2334724

SMILES: CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

InChI Key: InChIKey=XRFCYQRGFVMHRQ-OAQYLSRUSA-N

Data: 2 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 2 hits for monomerid = 50430749   
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


(Homo sapiens (Human))
BDBM50430749
PNG
(CHEMBL2334724)
Show SMILES CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C27H40O5Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)31-17-21(29)16-28)23-11-13-25(20(4)15-23)32-18-26(30)27(5,6)7/h10-15,21,28-29H,8-9,16-18H2,1-7H3/t21-/m1/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 4.00E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-ga...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50430749
PNG
(CHEMBL2334724)
Show SMILES CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C27H40O5Si/c1-8-33(9-2,22-10-12-24(19(3)14-22)31-17-21(29)16-28)23-11-13-25(20(4)15-23)32-18-26(30)27(5,6)7/h10-15,21,28-29H,8-9,16-18H2,1-7H3/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 113n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell growth after 3 day...


Bioorg Med Chem 21: 1643-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.060
BindingDB Entry DOI: 10.7270/Q2028SXZ
More data for this
Ligand-Target Pair