BDBM50454124 CHEMBL3780822

SMILES Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2Cc1cn[nH]c1

InChI Key InChIKey=DETOMBLLEOZTMZ-UHFFFAOYSA-N

Data  1 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50454124   

TargetMenin(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50454124BDBM50454124(CHEMBL3780822)
Affinity DataKd:  9.30nMAssay Description:Binding affinity to menin (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMenin(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50454124BDBM50454124(CHEMBL3780822)
Affinity DataKd:  10nMAssay Description:Binding affinity to human Menin expressed in Escherichia coli Rosetta2 (DE3) cells by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMenin(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50454124BDBM50454124(CHEMBL3780822)
Affinity DataIC50: 15nMAssay Description:Displacement of FITC-MBM1 from full length human menin measured after 1 hr by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)