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Target
Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM529842
Substrate
n/a
Meas. Tech.
TBHPK1 IC50 Assay
IC50
0.050±n/a nM
Citation
 Balan, G; Bartlett, MJ; Chandrasekhar, J; Codelli, JA; Conway, JH; Cosman, JL; Kalla, RV; Kasun, ZA; Kim, M; Lee, SH; Lo, JR; Loyer-Drew, JA; Mitchell, SA; Perry, TD; Phillips, GB; Salvo, PJ; Swaminathan, S; Van Veldhuizen, JJ; Yeung, SC; Zablocki, J Substituted 6-azabenzimidazole compounds US Patent  US11203591 Publication Date 12/21/2021 
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:
BDBM529842
Synonyms:
US11203591, Example 248
Type:
Small organic molecule
Emp. Form.:
C38H43ClF4N8O2
Mol. Mass.:
755.247
SMILES:
CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NCC(F)F)c(Cl)c(F)c3F)c12)-c1cnc2c(c1)N(C(=O)C2(C)C)C1(CC(C)C1)N1CCCCCC1 |(-2.25,5.87,;-.74,5.55,;.29,6.7,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;2.53,5.92,;3.86,6.69,;5.2,5.92,;6.53,6.69,;7.87,5.92,;7.87,4.38,;9.2,6.69,;9.2,8.23,;10.53,9,;10.53,10.54,;11.87,8.23,;6.53,8.23,;7.87,9,;5.2,9,;5.2,10.54,;3.86,8.23,;2.53,9,;1.2,3.61,;5.2,1.3,;6.53,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;6.85,-2.51,;8.38,-2.67,;9.15,-4.01,;9.01,-1.27,;10.48,-1.73,;10.16,-.25,;5.82,-3.66,;6.97,-4.69,;5.94,-5.83,;6.02,-7.37,;4.79,-4.8,;4.68,-2.63,;3.25,-3.21,;1.91,-2.46,;1.65,-.94,;2.68,.2,;4.22,.11,;5.11,-1.15,)|
Structure:
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