Ki Summary

Reaction Details

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Target

Mitogen-activated protein kinase kinase kinase kinase 1

Ligand

BDBM529732

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:

BDBM529732

Synonyms:

US11203591, Example 139

Type:

Small organic molecule

Emp. Form.:

C40H51N7O2

Mol. Mass.:

661.8786

SMILES:

CC(C)CNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCCCC2)C(=O)C3(C)C)ccc1C |r,wU:30.32,32.37,(4.01,-7.53,;4.01,-5.99,;5.35,-5.22,;2.68,-5.22,;1.35,-5.99,;.01,-5.22,;-1.32,-5.99,;.01,-3.68,;1.35,-2.91,;1.35,-1.37,;2.68,-.6,;2.68,.94,;1.35,1.71,;1.35,3.25,;2.68,4.02,;4.01,3.25,;5.48,3.73,;6.38,2.48,;5.48,1.24,;5.88,-.25,;7.37,-.65,;4.79,-1.34,;4.01,1.71,;.01,4.02,;.01,5.56,;-1.32,6.33,;-2.65,5.56,;-2.65,4.02,;-1.32,3.25,;-4.12,3.55,;-4.52,2.06,;-3.75,.73,;-5.08,-.04,;-5.85,1.29,;-5.48,-1.53,;-6.97,-1.93,;-7.37,-3.42,;-6.28,-4.51,;-4.79,-4.11,;-4.39,-2.62,;-5.02,4.79,;-6.56,4.79,;-4.12,6.04,;-5.21,7.13,;-3.72,7.53,;.01,-.6,;-1.32,-1.37,;-1.32,-2.91,;-2.65,-3.68,)|

Structure: