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BDBM50204806 CHEMBL437190::N-((S)-1-(1-((S)-4-(2-((S)-3-methylpyrrolidin-1-yl)ethoxy)benzyl)-5-hydroxy-3-methyl-1H-indol-2-yl)ethyl)-2-(2-phenyl-1H-indol-3-yl)acetamide

SMILES: C[C@H](NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1)c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CC[C@H](C)C2)cc1

InChI Key: InChIKey=KDVOMBYVUBSMGG-YTMVLYRLSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50204806   
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50204806
PNG
(CHEMBL437190 | N-((S)-1-(1-((S)-4-(2-((S)-3-methyl...)
Show SMILES C[C@H](NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1)c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CC[C@H](C)C2)cc1
Show InChI InChI=1S/C41H44N4O3/c1-27-19-20-44(25-27)21-22-48-33-16-13-30(14-17-33)26-45-38-18-15-32(46)23-35(38)28(2)41(45)29(3)42-39(47)24-36-34-11-7-8-12-37(34)43-40(36)31-9-5-4-6-10-31/h4-18,23,27,29,43,46H,19-22,24-26H2,1-3H3,(H,42,47)/t27-,29-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 522n/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
Estrogen receptor


(Homo sapiens (Human))
BDBM50204806
PNG
(CHEMBL437190 | N-((S)-1-(1-((S)-4-(2-((S)-3-methyl...)
Show SMILES C[C@H](NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1)c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CC[C@H](C)C2)cc1
Show InChI InChI=1S/C41H44N4O3/c1-27-19-20-44(25-27)21-22-48-33-16-13-30(14-17-33)26-45-38-18-15-32(46)23-35(38)28(2)41(45)29(3)42-39(47)24-36-34-11-7-8-12-37(34)43-40(36)31-9-5-4-6-10-31/h4-18,23,27,29,43,46H,19-22,24-26H2,1-3H3,(H,42,47)/t27-,29-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/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