BDBM50180851 CHEMBL3818085::US10144731, Example 54

SMILES Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)c4ccccc4)Cl

InChI Key InChIKey=NICLDNFOUWEYPY-UHFFFAOYSA-N

Data  2 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50180851   

TargetKelch-like ECH-associated protein 1(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50180851(CHEMBL3818085 | US10144731, Example 54)
Affinity DataKd:  670nMAssay Description:Binding affinity to human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infected sf9 cells by isoth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKelch-like ECH-associated protein 1(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50180851(CHEMBL3818085 | US10144731, Example 54)
Affinity DataIC50: 270nMAssay Description:Displacement of 5'-TAMRA-NRF2 peptide from human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKelch-like ECH-associated protein 1 [321-609](Human)
Glaxosmithkline

US Patent
LigandPNGBDBM50180851(CHEMBL3818085 | US10144731, Example 54)
Affinity DataIC50: 550nMAssay Description:100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)