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BDBM50204817 (R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-6-(2-(pyrrolidin-1-yl)ethoxy)-1H-indol-3-yl)acetamide::CHEMBL241485

SMILES: C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCN3CCCC3)ccc12)-c1ccccc1

InChI Key: InChIKey=PACSUZYMICPEQW-HSZRJFAPSA-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 = 50204817   
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))
BDBM50204817
PNG
((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...)
Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCN3CCCC3)ccc12)-c1ccccc1
Show InChI InChI=1S/C32H37N3O3/c1-23(9-10-24-11-13-26(36)14-12-24)33-31(37)22-29-28-16-15-27(38-20-19-35-17-5-6-18-35)21-30(28)34-32(29)25-7-3-2-4-8-25/h2-4,7-8,11-16,21,23,34,36H,5-6,9-10,17-20,22H2,1H3,(H,33,37)/t23-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/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))
BDBM50204817
PNG
((R)-N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-...)
Show SMILES C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCN3CCCC3)ccc12)-c1ccccc1
Show InChI InChI=1S/C32H37N3O3/c1-23(9-10-24-11-13-26(36)14-12-24)33-31(37)22-29-28-16-15-27(38-20-19-35-17-5-6-18-35)21-30(28)34-32(29)25-7-3-2-4-8-25/h2-4,7-8,11-16,21,23,34,36H,5-6,9-10,17-20,22H2,1H3,(H,33,37)/t23-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.75E+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