Ki Summary

Reaction Details

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Target

Mitogen-activated protein kinase kinase kinase kinase 1

Ligand

BDBM529706

Substrate

n/a

Meas. Tech.

TBHPK1 IC50 Assay

IC50

0.050±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:

BDBM529706

Synonyms:

US11203591, Example 114

Type:

Small organic molecule

Emp. Form.:

C37H44ClN7O2

Mol. Mass.:

654.244

SMILES:

CC[C@H](C)n1cnc2cc(nc(Nc3ccc(Cl)c(c3)C(=O)NC)c12)-c1ccc2c(c1)N([C@H]1C[C@H](C1)N1CCCCC1)C(=O)C2(C)C |r,wU:32.35,34.40,wD:2.2,(7.91,-.33,;6.82,-1.42,;5.33,-1.02,;4.24,-2.11,;4.93,.47,;5.84,1.71,;4.93,2.96,;3.47,2.48,;2.14,3.25,;.8,2.48,;.8,.94,;2.14,.17,;2.14,-1.37,;.8,-2.14,;-.53,-1.37,;-1.86,-2.14,;-1.86,-3.68,;-3.2,-4.45,;-.53,-4.45,;.8,-3.68,;-.53,-5.99,;-1.86,-6.76,;.8,-6.76,;2.14,-5.99,;3.47,.94,;-.53,3.25,;-.53,4.79,;-1.86,5.56,;-3.2,4.79,;-3.2,3.25,;-1.86,2.48,;-4.66,2.78,;-5.06,1.29,;-4.29,-.04,;-5.63,-.81,;-6.4,.52,;-6.02,-2.3,;-7.51,-2.7,;-7.91,-4.19,;-6.82,-5.28,;-5.33,-4.88,;-4.93,-3.39,;-5.57,4.02,;-7.11,4.02,;-4.66,5.27,;-4.26,6.76,;-5.75,6.36,)|

Structure: