BDBM50462978 CHEMBL4243051

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)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=CHMRWTUVZDQDLE-UHFFFAOYSA-N

Data  1 IC50  3 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 4 hits for monomerid = 50462978   

TargetEstrogen receptor(Human)
Peking University Shenzhen Graduate School

Curated by ChEMBL
LigandPNGBDBM50462978(CHEMBL4243051)
Affinity DataIC50: 1.10E+3nMAssay 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
TargetEstrogen receptor beta(Human)
Peking University Shenzhen Graduate School

Curated by ChEMBL
LigandPNGBDBM50462978(CHEMBL4243051)
Affinity DataKd:  5.00E+3nMAssay 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
LigandPNGBDBM50462978(CHEMBL4243051)
Affinity DataKd:  2.50E+3nMAssay 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
LigandPNGBDBM50462978(CHEMBL4243051)
Affinity DataKd:  2.60E+3nMAssay Description:Binding affinity to recombinant N-terminal His6-tagged ERalpha LBD (unknown origin) (299 to 554 residues) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed