BDBM50481598 CHEMBL5272698

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(N)=O

InChI Key InChIKey=XUMGVGFCIDQIMX-UHFFFAOYSA-N

Data  1 KI  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 = 50481598   

TargetHistone-lysine N-methyltransferase 2A(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50481598(CHEMBL5272698)
Affinity DataKd:  8.30E+3nMAssay Description:Competitive binding affinity to full length wild type MLL (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetHistone-lysine N-methyltransferase 2A(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50481598(CHEMBL5272698)
Affinity DataKi:  5.80E+4nMAssay Description:Competitive binding affinity to full length wild type MLL (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed