BDBM50538251 CHEMBL4645672

SMILES [H][C@@]12CCCN1C(=O)N[C@@H](CCC(O)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC2=O)C(=O)N[C@@H](C)C(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N1)c3

InChI Key InChIKey=XKRCHUSMAGNEJV-XHDRSPAFSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50538251   

TargetEphrin type-A receptor 2(Homo sapiens (Human))
Bicycletx

Curated by ChEMBL
LigandPNGBDBM50538251(CHEMBL4645672)
Affinity DataKi:  83nMAssay Description:Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed