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BDBM50204803 2-(2-phenyl-1H-indol-3-yl)-N-(4-phenylbutan-2-yl)acetamide::CHEMBL241300

SMILES: CC(CCc1ccccc1)NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1

InChI Key: InChIKey=NCOBQWNOGVZBLA-UHFFFAOYSA-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 = 50204803   
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))
BDBM50204803
PNG
(2-(2-phenyl-1H-indol-3-yl)-N-(4-phenylbutan-2-yl)a...)
Show SMILES CC(CCc1ccccc1)NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1 |w:1.0|
Show InChI InChI=1S/C26H26N2O/c1-19(16-17-20-10-4-2-5-11-20)27-25(29)18-23-22-14-8-9-15-24(22)28-26(23)21-12-6-3-7-13-21/h2-15,19,28H,16-18H2,1H3,(H,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/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))
BDBM50204803
PNG
(2-(2-phenyl-1H-indol-3-yl)-N-(4-phenylbutan-2-yl)a...)
Show SMILES CC(CCc1ccccc1)NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1 |w:1.0|
Show InChI InChI=1S/C26H26N2O/c1-19(16-17-20-10-4-2-5-11-20)27-25(29)18-23-22-14-8-9-15-24(22)28-26(23)21-12-6-3-7-13-21/h2-15,19,28H,16-18H2,1H3,(H,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+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