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Target
Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM529837
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:
BDBM529837
Synonyms:
US11203591, Example 243
Type:
Small organic molecule
Emp. Form.:
C40H45F4N7O2
Mol. Mass.:
731.8246
SMILES:
CC(C)n1cnc2cc(nc(Nc3c(F)c(F)cc(C(N)=O)c3C3(CC3)C(F)F)c12)-c1ccc2c(c1)N(C1CC(C)(C1)N1CCCCC1)C(=O)C2(C)C |(13.94,7.78,;12.91,6.63,;13.39,5.17,;11.4,6.95,;10.78,8.36,;9.25,8.2,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;10.26,4.38,;11.59,3.61,;11.59,2.07,;10.26,1.3,;8.93,2.07,;10.26,-.24,;8.93,-1.01,;11.59,-1.01,;12.93,-.24,;14.26,-1.01,;15.77,-.69,;14.26,-2.55,;12.93,1.3,;14.26,2.07,;13.73,3.52,;15.25,3.25,;15.25,.89,;14.72,-.55,;16.77,1.16,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;3.59,3.61,;4.92,4.38,;2.13,4.09,;1.65,5.55,;.28,6.25,;.98,7.62,;1.34,9.12,;2.35,6.93,;-.19,8.62,;-1.65,8.11,;-2.82,9.11,;-2.54,10.63,;-1.08,11.14,;.09,10.14,;1.22,2.84,;-.32,2.84,;2.13,1.6,;2.43,.09,;.99,.55,)|
Structure:
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