Reaction Details Report a problem with these data
Target
Bcl-2 homologous antagonist/killer
Ligand
BDBM50591663
Substrate
n/a
Meas. Tech.
ChEMBL_2201151 (CHEMBL5113859)
IC50
280±n/a nM
Citation
 Negi, A; Murphy, PV Development of Mcl-1 inhibitors for cancer therapy. Eur J Med Chem 210:0 (2021) [PubMed] 
Target
Name:
Bcl-2 homologous antagonist/killer
Synonyms:
Apoptosis regulator BAK | BAK | BAK1 | BAK_HUMAN | BCL2L7 | Bcl-2 homologous antagonist/killer | Bcl-2-like protein 7 | Bcl2-L-7 | CDN1
Type:
PROTEIN
Mol. Mass.:
23406.37
Organism:
Homo sapiens
Description:
ChEMBL_117067
Residue:
211
Sequence:
MASGQGPGPPRQECGEPALPSASEEQVAQDTEEVFRSYVFYRHQQEQEAEGVAAPADPEMVTLPLQPSSTMGQVGRQLAIIGDDINRRYDSEFQTMLQHLQPTAENAYEYFTKIATSLFESGINWGRVVALLGFGYRLALHVYQHGLTGFLGQVTRFVVDFMLHHCIARWIAQRGGWVAALNLGNGPILNVLVVLGVVLLGQFVVRRFFKS
  
Inhibitor
Name:
BDBM50591663
Synonyms:
CHEMBL5203189
Type:
Small organic molecule
Emp. Form.:
C42H40N2O8
Mol. Mass.:
700.7756
SMILES:
CC(CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |r,wD:30.32,(-1.99,-8.85,;-1.99,-7.31,;-3.33,-6.54,;-3.33,-5,;-4.66,-4.23,;-6,-5,;-4.66,-2.69,;-6,-1.93,;-7.33,-2.7,;-6,-.38,;-7.33,.39,;-4.67,.38,;-3.34,-.38,;-2,.39,;-2,1.93,;-.67,-.38,;-.67,-1.92,;.66,-2.69,;-2,-2.69,;-3.34,-1.92,;.66,.39,;.66,1.93,;-.67,2.7,;2,2.7,;3.33,1.93,;4.66,2.69,;4.66,4.23,;6,5,;3.33,5,;3.33,6.54,;1.99,7.31,;1.99,8.85,;.66,6.54,;.66,5,;-.67,4.24,;-2.01,5.01,;-2.01,6.54,;-.68,7.32,;6,1.92,;7.33,2.69,;6,.39,;7.33,-.38,;4.67,-.39,;3.33,.39,;2,-.38,;2,-1.92,;-.66,-6.54,;-.66,-5,;.67,-4.24,;2,-5.01,;2.01,-6.54,;.68,-7.32,)|
Structure:
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