BDBM50462980 CHEMBL4243758

SMILES CC(C)C[C@H](NC(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O

InChI Key InChIKey=QHIHPDZLJJKNHS-UHFFFAOYSA-N

Data  1 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50462980   

TargetEstrogen receptor beta(Human)
Peking University Shenzhen Graduate School

Curated by ChEMBL
LigandPNGBDBM50462980(CHEMBL4243758)
Affinity DataKd:  632nMAssay Description:Binding affinity to recombinant human ERbeta LBD (259 to 498 residues) C334S/C369S/C481S triple mutant expressed in Escherichia coli BL21(DE3) by sur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
Peking University Shenzhen Graduate School

Curated by ChEMBL
LigandPNGBDBM50462980(CHEMBL4243758)
Affinity DataKd:  352nMAssay Description:Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
Peking University Shenzhen Graduate School

Curated by ChEMBL
LigandPNGBDBM50462980(CHEMBL4243758)
Affinity DataIC50: 760nMAssay Description:Displacement of 5-iodoacetamidofluorescein-labelled SRC3 from C417-biotin labelled ERalpha (unknown origin) (304 to 554 residues) after 45 mins by TR...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed