Ki Summary

Reaction Details

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Target

Mitogen-activated protein kinase kinase kinase kinase 1

Ligand

BDBM508909

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

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:

BDBM508909

Synonyms:

US11071730, Example 20B

Type:

Small organic molecule

Emp. Form.:

C42H51FN8O3

Mol. Mass.:

734.9045

SMILES:

CC(C)n1cnc2cc(nc(Nc3ccncc3F)c12)-c1ccc2c(c1)N([C@@H]1C[C@@H](C1)N1CCC(C)(C)C1)C(=O)C21CCN(CC1)C(=O)[C@@H]1CC[C@H](C)O1 |r,wU:27.30,29.35,wD:48.55,51.59,(6.43,-16.51,;7.46,-15.36,;8.97,-15.68,;6.99,-13.9,;7.89,-12.65,;6.99,-11.4,;5.52,-11.88,;4.19,-11.11,;2.85,-11.88,;2.85,-13.42,;4.19,-14.19,;4.19,-15.73,;2.85,-16.5,;2.85,-18.04,;1.52,-18.81,;.19,-18.04,;.19,-16.5,;1.52,-15.73,;1.52,-14.19,;5.52,-13.42,;1.52,-11.11,;1.52,-9.57,;.19,-8.8,;-1.15,-9.57,;-1.15,-11.11,;.19,-11.88,;-2.61,-11.59,;-3.09,-13.05,;-4.46,-13.75,;-3.76,-15.12,;-2.39,-14.42,;-4.24,-16.59,;-3.33,-17.83,;-4.24,-19.08,;-5.7,-18.6,;-7.23,-18.76,;-6.33,-20.01,;-5.7,-17.06,;-3.52,-10.34,;-5.06,-10.34,;-2.61,-9.09,;-1.58,-7.95,;-2.06,-6.49,;-3.56,-6.17,;-4.59,-7.31,;-4.12,-8.77,;-4.04,-4.7,;-3.01,-3.56,;-5.55,-4.38,;-6.58,-5.52,;-7.98,-4.9,;-7.82,-3.37,;-8.97,-2.34,;-6.32,-3.05,)|

Structure: