BDBM544501 (rac)-12-ethyl-13-fluoro-10-methyl-1-(3-(naphthalen-1-yloxy)propyl)-4,5,6,7,9,10-hexahydro-pyrazolo[4′,3′:9,10][1]oxa[6]azacycloundecino[8,7,6-hi]indole-2-carboxylic acid::US11286263, Example 37

SMILES CCc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(F)c(-c12)c34

InChI Key InChIKey=YKEWVNLKYIKZMD-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 = 544501   

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

US Patent
LigandPNGBDBM544501(US11286263, Example 37 | (rac)-12-ethyl-13-fluoro-...)
Affinity DataIC50: 1.20nMAssay 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
Go to US Patent

TargetBcl-2-like protein 1 [1-212](Human)
The Broad Institute

US Patent
LigandPNGBDBM544501(US11286263, Example 37 | (rac)-12-ethyl-13-fluoro-...)
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
LigandPNGBDBM544501(US11286263, Example 37 | (rac)-12-ethyl-13-fluoro-...)
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