BDBM50468253 CHEMBL4283329

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)N[C@@H](CCCCNC(=O)CCCc1cn(CCCCCOC(=O)COCC(=O)O[C@H]([C@@H](NC(=O)c2ccccc2)c2ccccc2)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(C)=O)C(=C2C)C3(C)C)OC(C)=O)nn1)C(O)=O

InChI Key InChIKey=QFXYCEDWPUUMIU-UHFFFAOYSA-N

Data  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50468253   

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

Curated by ChEMBL
LigandPNGBDBM50468253(CHEMBL4283329)
Affinity DataKd:  4.00E+3nMAssay Description:Binding affinity to human EphA2 ligand binding domain (27 to 200 residues) expressed in Escherichia coli Rosetta-gami B(DE3) by ITCMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed