Reaction Details Report a problem with these data
Target
Induced myeloid leukemia cell differentiation protein Mcl-1
Ligand
BDBM38101
Substrate
n/a
Meas. Tech.
Bak Peptide Binding Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
<100±n/a nM
Comments
extracted
Citation
 Chen, CH; Chen, Z; Fortanet, JG; Grunenfelder, D; Karki, R; Kato, M; LaMarche, MJ; Perez, LB; Stams, TM; Williams, S 1-pyridazin-/triazin-3-yl-piper(-azine)/idine/pyrolidine derivatives and compositions thereof for inhibiting the activity of SHP2 US Patent  US10093646 Publication Date 10/9/2018 
Target
Name:
Induced myeloid leukemia cell differentiation protein Mcl-1
Synonyms:
BCL2L3 | Bcl-2-like protein 3 | Bcl-2-like protein 3 (Mcl-1) | Bcl-2-related protein EAT/mcl1 | Bcl2-L-3 | Induced myeloid leukemia cell differentiation protein (Mcl-1) | MCL1 | MCL1_HUMAN | Mcl-1 | Myeloid Cell factor-1 (Mcl-1) | Myeloid cell leukemia sequence 1 (BCL2-related) | mcl1/EAT
Type:
Membrane; Single-pass membrane protein
Mol. Mass.:
37332.87
Organism:
Homo sapiens (Human)
Description:
Q07820
Residue:
350
Sequence:
MFGLKRNAVIGLNLYCGGAGLGAGSGGATRPGGRLLATEKEASARREIGGGEAGAVIGGSAGASPPSTLTPDSRRVARPPPIGAEVPDVTATPARLLFFAPTRRAAPLEEMEAPAADAIMSPEEELDGYEPEPLGKRPAVLPLLELVGESGNNTSTDGSLPSTPPPAEEEEDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGGIRNVLLAFAGVAGVGAGLAYLIR
  
Inhibitor
Name:
BDBM38101
Synonyms:
3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-7-(3,5-dimethylisoxazol-4-yl)-N-(phenylsulfonyl)-1H-indole-2-carboxamide | US10093640, Example 88 | US10844032, Example 88
Type:
Small organic molecule
Emp. Form.:
C31H30ClN3O5S
Mol. Mass.:
592.105
SMILES:
Cc1noc(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-1.45,-6.66,;-2.78,-7.43,;-3.26,-8.9,;-4.8,-8.9,;-5.27,-7.43,;-6.61,-6.66,;-4.03,-6.53,;-4.03,-4.99,;-5.36,-4.22,;-5.36,-2.68,;-4.03,-1.91,;-2.69,-2.68,;-1.23,-2.2,;-.83,-.72,;-1.92,.37,;-1.52,1.86,;-2.61,2.95,;-2.21,4.44,;-3.3,5.53,;-2.9,7.01,;-3.99,8.1,;-1.41,7.41,;-1.02,8.9,;-.32,6.32,;1.16,6.72,;-.72,4.84,;-.32,-3.45,;-1.23,-4.7,;-2.69,-4.22,;1.22,-3.45,;1.99,-2.12,;1.99,-4.78,;3.53,-4.78,;4.3,-3.45,;3.53,-3.24,;4.3,-6.12,;3.53,-7.45,;4.3,-8.78,;5.84,-8.78,;6.61,-7.45,;5.84,-6.12,)|
Structure:
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