Ki Summary

Reaction Details

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Target

Mitogen-activated protein kinase kinase kinase kinase 1

Ligand

BDBM529682

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.:

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:

BDBM529682

Synonyms:

US11203591, Example 94

Type:

Small organic molecule

Emp. Form.:

C43H52N8O3

Mol. Mass.:

728.9248

SMILES:

CC(C)n1cnc2cc(nc(Nc3ccc(C)c(c3)C(=O)NC3CC3)c12)-c1ccc2c(c1)N([C@H]1C[C@H](C1)N1CCCCC1)C(=O)C21CCN(CC1)C(C)=O |r,wU:33.37,35.42,(4.79,-4.14,;5.88,-3.05,;7.37,-3.45,;5.48,-1.56,;6.38,-.32,;5.48,.93,;4.01,.45,;2.68,1.22,;1.35,.45,;1.35,-1.09,;2.68,-1.86,;2.68,-3.4,;1.35,-4.17,;.01,-3.4,;-1.32,-4.17,;-1.32,-5.71,;-2.65,-6.48,;.01,-6.48,;1.35,-5.71,;.01,-8.02,;-1.32,-8.79,;1.35,-8.79,;2.68,-8.02,;4.22,-8.02,;3.45,-6.69,;4.01,-1.09,;.01,1.22,;.01,2.76,;-1.32,3.53,;-2.65,2.76,;-2.65,1.22,;-1.32,.45,;-4.12,.75,;-4.52,-.74,;-3.75,-2.08,;-5.08,-2.85,;-5.85,-1.51,;-5.48,-4.33,;-6.97,-4.73,;-7.37,-6.22,;-6.28,-7.31,;-4.79,-6.91,;-4.39,-5.42,;-5.02,1.99,;-6.56,1.99,;-4.12,3.24,;-3.03,4.33,;-3.43,5.81,;-4.92,6.21,;-6,5.12,;-5.61,3.64,;-5.31,7.7,;-6.8,8.1,;-4.23,8.79,)|

Structure: