BDBM50460186 CHEMBL4227953

SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)COc1ccc(F)c(Cl)c1)C(C)C)C(=O)N[C@@H](CCO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCO)NC(=O)[C@H](CCCC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)COc1ccc(F)c(Cl)c1)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC#C)C(=O)NCC(N)=O

InChI Key InChIKey=GORMTZMWODPVQQ-UHFFFAOYSA-N

Data  1 IC50  1 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 2 hits for monomerid = 50460186   

TargetEphrin type-A receptor 2(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50460186(CHEMBL4227953)
Affinity DataIC50: 4.10E+3nMAssay Description:Displacement of biotin-labeled 123B9 from EphA2-LBD (unknown origin) after 15 mins by DELFIAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetEphrin type-A receptor 2(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50460186(CHEMBL4227953)
Affinity DataKd:  4.90E+3nMAssay Description:Binding affinity to EphA2-LBD (unknown origin) by ITC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed