Ki Summary

Reaction Details

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Target

Mitogen-activated protein kinase kinase kinase kinase 1

Ligand

BDBM508961

Substrate

n/a

Meas. Tech.

Enzymatic Activity Assay

IC50

0.100±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

More Info.:

Get all data from this article, Assay Method

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:

BDBM508961

Synonyms:

US11071730, Example 70

Type:

Small organic molecule

Emp. Form.:

C37H42F2N8O2

Mol. Mass.:

668.7786

SMILES:

CC(C)n1cnc2cc(nc(Nc3ccc(F)nc3F)c12)-c1ccc2c(c1)N([C@H]1C[C@H](C1)N1CCCCC1)C(=O)C21CCN(CC1)C(C)=O |r,wU:28.31,30.36,(5.06,-4.97,;6.09,-3.82,;7.59,-4.14,;5.61,-2.36,;6.52,-1.11,;5.61,.13,;4.15,-.34,;2.81,.43,;1.48,-.34,;1.48,-1.88,;2.81,-2.65,;2.81,-4.19,;1.48,-4.96,;1.48,-6.5,;.15,-7.27,;-1.19,-6.5,;-2.52,-7.27,;-1.19,-4.96,;.15,-4.19,;.15,-2.65,;4.15,-1.88,;.15,.43,;.15,1.97,;-1.19,2.74,;-2.52,1.97,;-2.52,.43,;-1.19,-.34,;-3.99,-.05,;-4.46,-1.51,;-3.76,-2.89,;-5.14,-3.59,;-5.83,-2.21,;-5.61,-5.05,;-7.12,-5.37,;-7.59,-6.84,;-6.56,-7.98,;-5.06,-7.66,;-4.58,-6.2,;-4.89,1.2,;-6.43,1.2,;-3.99,2.44,;-2.96,3.59,;-3.43,5.05,;-4.94,5.37,;-5.97,4.23,;-5.49,2.76,;-5.41,6.84,;-6.92,7.16,;-4.38,7.98,)|

Structure: