BDBM50588615 CHEMBL5203641

SMILES [H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](OC(=O)CCCCCn1cc(CCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2C(F)(F)F)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)CN2CCNCC2)C2CCCCC2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2C(F)(F)F)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)CN2CCNCC2)C2CCCCC2)C(N)=O)nn1)[C@@H](NC(=O)c1ccccc1)c1ccccc1

InChI Key InChIKey=MFGXQAYICRLKBC-DNSPUKRQSA-N

Data  1 IC50

  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 = 50588615   

TargetEphrin type-A receptor 2(Homo sapiens (Human))
University Of California Riverside

Curated by ChEMBL
LigandPNGBDBM50588615(CHEMBL5203641)
Affinity DataIC50:  27nMAssay Description:Inhibition of EPHA2 (unknown origin) by DELFIA assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed