BDBM50538273 CHEMBL4634551

SMILES [H][C@]12O[C@]1(C)[C@@H](CC(=O)N(C)c1cc(C\C(C)=C\C=C\[C@H](OC)[C@]3(O)C[C@@]([H])(OC(=O)N3)[C@@H]2C)cc(OC)c1Cl)OC(=O)[C@@H](C)N(C)C(=O)CCSSCCCC(=O)NCCC(=O)N(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@]2([H])CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@]2([H])CCCN2C1=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CC1CCc2ccccc12)C(=O)NC(CCCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(N)=O

InChI Key InChIKey=CNODADSJUWXPDZ-AHXNYXSWSA-N

Data  1 KI

  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 = 50538273   

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

Curated by ChEMBL
LigandPNGBDBM50538273(CHEMBL4634551)
Affinity DataKi:  3.10nMAssay 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