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BDBM50204812 (R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-7-(5-(piperidin-1-yl)pentyloxy)-1H-indol-3-yl)acetamide::CHEMBL241257

SMILES: C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCCCCN3CCCCC3)cccc12)-c1ccccc1

InChI Key: InChIKey=MLYRZMZPCCPFGX-HHHXNRCGSA-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 = 50204812   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50204812
PNG
((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...)
Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCCCCN3CCCCC3)cccc12)-c1ccccc1
Show InChI InChI=1S/C36H45N3O3/c1-27(16-17-28-18-20-30(40)21-19-28)37-34(41)26-32-31-14-11-15-33(36(31)38-35(32)29-12-5-2-6-13-29)42-25-10-4-9-24-39-22-7-3-8-23-39/h2,5-6,11-15,18-21,27,38,40H,3-4,7-10,16-17,22-26H2,1H3,(H,37,41)/t27-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2322-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.054
BindingDB Entry DOI: 10.7270/Q2PC322G
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50204812
PNG
((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...)
Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCCCCN3CCCCC3)cccc12)-c1ccccc1
Show InChI InChI=1S/C36H45N3O3/c1-27(16-17-28-18-20-30(40)21-19-28)37-34(41)26-32-31-14-11-15-33(36(31)38-35(32)29-12-5-2-6-13-29)42-25-10-4-9-24-39-22-7-3-8-23-39/h2,5-6,11-15,18-21,27,38,40H,3-4,7-10,16-17,22-26H2,1H3,(H,37,41)/t27-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.34E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay


Bioorg Med Chem Lett 17: 2322-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.054
BindingDB Entry DOI: 10.7270/Q2PC322G
More data for this
Ligand-Target Pair