BDBM577701 (rac)-3-chloro-4-ethyl-14-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-5-methyl-5,7,9a,10,10a,11-hexahydro-9H-cyclopropa[3,4]pyrazolo[4′,3′:9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-13-carboxylic acid (Racemate 2)::US11478451, Example 106

SMILES CCc1c-2c(COCC3CC3Cn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(Cl)c-2c34)nn1C

InChI Key InChIKey=NNIZSKXUZBQRNK-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 = 577701   

LigandPNGBDBM577701(US11478451, Example 106 | (rac)-3-chloro-4-ethyl-1...)
Affinity DataIC50: 5.60nMAssay Description:The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2022
Entry Details
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TargetBcl-2-like protein 1 [1-212]/Bad BH3 Peptide(Human)
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US Patent
LigandPNGBDBM577701(US11478451, Example 106 | (rac)-3-chloro-4-ethyl-1...)
Affinity DataIC50: 1.50E+4nMAssay Description:The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-XL and the BH3 domain of Bad (both human) w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2022
Entry Details
Go to US Patent

LigandPNGBDBM577701(US11478451, Example 106 | (rac)-3-chloro-4-ethyl-1...)
Affinity DataIC50: 2.00E+4nMAssay Description:The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-2 and the BH3 domain of Bad (both human) wa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2022
Entry Details
Go to US Patent