BDBM50630678 CHEMBL5400392

SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSCc2cccc(c2)C[S+](C)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O

InChI Key InChIKey=ONQIZIBCFHJFOB-UHFFFAOYSA-O

Data  1 IC50  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 = 50630678   

TargetLysine-specific histone demethylase 1A(Human)
Shenzhen University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50630678BDBM50630678(CHEMBL5400392)
Affinity DataIC50: 2.53E+3nMAssay Description:Inhibition of His-SUMO-tagged wild-type recombinant LSD1 (172 to 833 residues)(unknown origin) expressed in Escherichia coli BL21 (DE3) using methyla...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetLysine-specific histone demethylase 1A(Human)
Shenzhen University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50630678BDBM50630678(CHEMBL5400392)
Affinity DataKd:  2.70E+3nMAssay Description:Binding affinity to His-SUMO-tagged wild-type recombinant LSD1 (172 to 833 residues)(unknown origin) expressed in Escherichia coli BL21 (DE3) assesse...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed