Ki Summary

Reaction Details

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Target

Mitogen-activated protein kinase kinase kinase kinase 1

Ligand

BDBM529736

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:

BDBM529736

Synonyms:

US11203591, Example 143

Type:

Small organic molecule

Emp. Form.:

C38H47N7O2

Mol. Mass.:

633.8255

SMILES:

CCc1ccc(Nc2nc(cc3ncn(C(C)C)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCCCC2)C(=O)C3(C)C)cc1C(=O)NC |r,wU:26.28,28.33,(-3.99,-3.68,;-2.65,-4.45,;-1.32,-3.68,;-1.32,-2.14,;.01,-1.37,;1.35,-2.14,;2.68,-1.37,;2.68,.17,;1.35,.94,;1.35,2.48,;2.68,3.25,;4.01,2.48,;5.48,2.96,;6.38,1.71,;5.48,.47,;5.88,-1.02,;7.37,-1.42,;4.79,-2.11,;4.01,.94,;.01,3.25,;.01,4.79,;-1.32,5.56,;-2.65,4.79,;-2.65,3.25,;-1.32,2.48,;-4.12,2.78,;-4.52,1.29,;-3.75,-.04,;-5.08,-.81,;-5.85,.52,;-5.48,-2.3,;-6.97,-2.7,;-7.37,-4.19,;-6.28,-5.28,;-4.79,-4.88,;-4.39,-3.39,;-5.02,4.02,;-6.56,4.02,;-4.12,5.27,;-5.21,6.36,;-3.72,6.76,;1.35,-3.68,;.01,-4.45,;.01,-5.99,;-1.32,-6.76,;1.35,-6.76,;2.68,-5.99,)|

Structure: