BDBM50159948 CHEMBL3785312::US10093640, Example 131::US10844032, Example 131

SMILES Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3[nH]c2C(=O)NS(=O)(=O)c4ccccc4

InChI Key InChIKey=SMGRUAFEHILHHU-UHFFFAOYSA-N

Data  2 KI  1 IC50

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 = 50159948   

LigandPNGBDBM50159948(CHEMBL3785312 | US10093640, Example 131 | US108440...)
Affinity DataIC50: 400nMpH: 7.5 T: 2°CAssay Description:Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/22/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50159948(CHEMBL3785312 | US10093640, Example 131 | US108440...)
Affinity DataKi:  361nMAssay Description:Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50159948(CHEMBL3785312 | US10093640, Example 131 | US108440...)
Affinity DataKi:  400nMAssay Description:The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/6/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)