Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM529865
Substrate
n/a
Meas. Tech.
TBHPK1 IC50 Assay
IC50
0.060±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 More Info.:
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:
BDBM529865
Synonyms:
US11203591, Example 271
Type:
Small organic molecule
Emp. Form.:
C38H45F3N8O2
Mol. Mass.:
702.8115
SMILES:
CCNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2cc3N(C4CC(C)(C4)N4CCCCC4)C(=O)C(C)(C)c3nc2F)c(F)c(F)c1C |(1.2,-10.25,;2.53,-9.48,;2.53,-7.94,;3.86,-7.17,;5.2,-7.94,;3.86,-5.63,;5.2,-4.86,;5.2,-3.32,;6.53,-2.55,;6.53,-1.01,;5.2,-.24,;5.2,1.3,;6.53,2.07,;7.87,1.3,;9.33,1.78,;10.23,.53,;9.33,-.71,;9.81,-2.18,;11.31,-2.5,;8.78,-3.32,;7.87,-.24,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-.74,.13,;-.04,-1.24,;-1.42,-1.94,;-1.06,-3.44,;-2.12,-.57,;-2.59,-2.94,;-2.31,-4.45,;-3.48,-5.45,;-4.93,-4.94,;-5.21,-3.43,;-4.04,-2.43,;-1.17,2.84,;-2.71,2.84,;-.27,4.09,;.04,5.6,;-1.4,5.13,;1.2,3.61,;2.53,4.38,;3.86,3.61,;5.2,4.38,;3.86,-2.55,;3.86,-1.01,;2.53,-3.32,;1.2,-2.55,;2.53,-4.86,;1.2,-5.63,)|
Structure:
