BDBM544516 (rac)-3-ethyl-4-fluoro-7-{3-[(6-fluoro-1-naphthyhoxy]propyl}-2,14-dimethyl-10,11,12,13,14,15-hexahydro-2H-pyrazolo[3′,4′:8,9][1,6]diazacycloundecino[10,11,1-hi]indole-8-carboxylic acid::US11286263, Example 53

SMILES CCc1c-2c(CN(C)CCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c-2c34)nn1C

InChI Key InChIKey=JPDSAHHFOVQCCX-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 544516   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
The Broad Institute

US Patent
LigandPNGBDBM544516(US11286263, Example 53 | (rac)-3-ethyl-4-fluoro-7-...)
Affinity DataIC50: 0.910nMAssay Description:MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1....More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/16/2022
Entry Details
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TargetBcl-2-like protein 1 [1-212](Human)
The Broad Institute

US Patent
LigandPNGBDBM544516(US11286263, Example 53 | (rac)-3-ethyl-4-fluoro-7-...)
Affinity DataIC50: 2.00E+4nMAssay Description:BCL-XL Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/16/2022
Entry Details
Go to US Patent

TargetApoptosis regulator Bcl-2 [1-211](Human)
The Broad Institute

US Patent
LigandPNGBDBM544516(US11286263, Example 53 | (rac)-3-ethyl-4-fluoro-7-...)
Affinity DataIC50: 2.00E+4nMAssay Description:BCL-2 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1....More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/16/2022
Entry Details
Go to US Patent