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Target
Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM508953
Substrate
n/a
Meas. Tech.
Enzymatic Activity Assay
IC50
0.050±n/a nM
Citation
 Balan, G; Bartlett, MJ; Chandrasekhar, J; Codelli, JA; Conway, JH; Cosman, JL; Kalla, RV; Kim, M; Lee, SH; Lo, JR; Loyer-Drew, JA; Mitchell, SA; Perry, TD; Phillips, GB; Salvo, PJ; Van Veldhuizen, JJ; Yeung, SC; Zablocki, J Substituted 6-azabenzimidazole compounds US Patent  US11071730 Publication Date 7/27/2021 
Target
Name:
Mitogen-activated protein kinase kinase kinase kinase 1
Synonyms:
HPK1 | M4K1_HUMAN | MAP4K1
Type:
PROTEIN
Mol. Mass.:
91316.07
Organism:
Homo sapiens (Human)
Description:
ChEMBL_586597
Residue:
833
Sequence:
MDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGATLARRLSFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKNPGKGPSIGDIEDEEPELPPAIPRRIRSTHRSSSLGIPDADCCRRHMEFRKLRGMETRPPANTARLQPPRDLRSSSPRKQLSESSDDDYDDVDIPTPAEDTPPPLPPKPKFRSPSDEGPGSMGDDGQLSPGVLVRCASGPPPNSPRPGPPPSTSSPHLTAHSEPSLWNPPSRELDKPPLLPPKKEKMKRKGCALLVKLFNGCPLRIHSTAAWTHPSTKDQHLLLGAEEGIFILNRNDQEATLEMLFPSRTTWVYSINNVLMSLSGKTPHLYSHSILGLLERKETRAGNPIAHISPHRLLARKNMVSTKIQDTKGCRACCVAEGASSGGPFLCGALETSVVLLQWYQPMNKFLLVRQVLFPLPTPLSVFALLTGPGSELPAVCIGVSPGRPGKSVLFHTVRFGALSCWLGEMSTEHRGPVQVTQVEEDMVMVLMDGSVKLVTPEGSPVRGLRTPEIPMTEAVEAVAMVGGQLQAFWKHGVQVWALGSDQLLQELRDPTLTFRLLGSPRLECSGTISPHCNLLLPGSSNSPASASRVAGITGL
  
Inhibitor
Name:
BDBM508953
Synonyms:
US11071730, Example 62
Type:
Small organic molecule
Emp. Form.:
C35H40FN7O
Mol. Mass.:
593.7368
SMILES:
CC(C)n1cnc2cc(nc(Nc3ccncc3F)c12)-c1ccc2c(c1)N([C@H]1C[C@H](C1)N1CC3CCC(C3)C1)C(=O)C2(C)C |r,wU:27.30,29.35,(5.06,-2.95,;6.09,-1.8,;7.59,-2.12,;5.61,-.34,;6.52,.91,;5.61,2.15,;4.15,1.68,;2.81,2.45,;1.48,1.68,;1.48,.14,;2.81,-.63,;2.81,-2.17,;1.48,-2.94,;1.48,-4.48,;.15,-5.25,;-1.19,-4.48,;-1.19,-2.94,;.15,-2.17,;.15,-.63,;4.15,.14,;.15,2.45,;.15,3.99,;-1.19,4.76,;-2.52,3.99,;-2.52,2.45,;-1.19,1.68,;-3.99,1.97,;-4.46,.51,;-3.76,-.87,;-5.14,-1.57,;-5.83,-.19,;-5.61,-3.03,;-7.12,-3.35,;-7.59,-4.82,;-6.7,-4.01,;-5.36,-4.43,;-5.06,-5.64,;-6.56,-5.96,;-4.58,-4.17,;-4.89,3.22,;-6.43,3.22,;-3.99,4.46,;-5.16,5.46,;-3.63,5.96,)|
Structure:
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