Ki Summary

Reaction Details

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Target

Mitogen-activated protein kinase kinase kinase kinase 1

Ligand

BDBM529629

Substrate/Competitor

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

Mitogen-activated protein kinase kinase kinase kinase 1

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:

MDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQ
KEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCRE
VLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGATLARRLSFIGTPYWMA
PEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEK
GKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKNPGKGPSI
GDIEDEEPELPPAIPRRIRSTHRSSSLGIPDADCCRRHMEFRKLRGMETRPPANTARLQP
PRDLRSSSPRKQLSESSDDDYDDVDIPTPAEDTPPPLPPKPKFRSPSDEGPGSMGDDGQL
SPGVLVRCASGPPPNSPRPGPPPSTSSPHLTAHSEPSLWNPPSRELDKPPLLPPKKEKMK
RKGCALLVKLFNGCPLRIHSTAAWTHPSTKDQHLLLGAEEGIFILNRNDQEATLEMLFPS
RTTWVYSINNVLMSLSGKTPHLYSHSILGLLERKETRAGNPIAHISPHRLLARKNMVSTK
IQDTKGCRACCVAEGASSGGPFLCGALETSVVLLQWYQPMNKFLLVRQVLFPLPTPLSVF
ALLTGPGSELPAVCIGVSPGRPGKSVLFHTVRFGALSCWLGEMSTEHRGPVQVTQVEEDM
VMVLMDGSVKLVTPEGSPVRGLRTPEIPMTEAVEAVAMVGGQLQAFWKHGVQVWALGSDQ
LLQELRDPTLTFRLLGSPRLECSGTISPHCNLLLPGSSNSPASASRVAGITGL

BDBM529629

n/a

Name

BDBM529629

Synonyms:

US11203591, Example 42

Type

Small organic molecule

Emp. Form.

C44H50N8O4

Mol. Mass.

754.919

SMILES

CNC(=O)c1cc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N([C@@H]2C[C@@H](C2)N2C[C@H]4CC[C@@H]2C4)C(=O)C32CCN(CC2)C(=O)C2COC2)ccc1C |r,wU:27.30,29.35,wD:36.42,33.43,(2.88,-8.79,;1.55,-9.56,;.22,-8.79,;-1.12,-9.56,;.22,-7.25,;1.55,-6.48,;1.55,-4.94,;2.88,-4.17,;2.88,-2.63,;1.55,-1.86,;1.55,-.32,;2.88,.45,;4.22,-.32,;5.68,.16,;6.59,-1.09,;5.68,-2.33,;6.08,-3.82,;5.68,-5.31,;7.17,-4.91,;4.22,-1.86,;.22,.45,;.22,1.99,;-1.12,2.76,;-2.45,1.99,;-2.45,.45,;-1.12,-.32,;-3.91,-.02,;-4.31,-1.51,;-5.65,-2.28,;-4.88,-3.62,;-3.54,-2.85,;-5.28,-5.1,;-4.16,-6.21,;-4.57,-7.71,;-6.07,-8.11,;-7.17,-7,;-6.76,-5.5,;-5.99,-6.84,;-4.82,1.22,;-6.36,1.22,;-3.91,2.47,;-2.83,3.56,;-3.22,5.04,;-4.71,5.44,;-5.8,4.35,;-5.4,2.87,;-5.11,6.93,;-6.6,7.33,;-4.02,8.02,;-2.48,8.02,;-2.48,9.56,;-4.02,9.56,;.22,-4.17,;-1.12,-4.94,;-1.12,-6.48,;-2.45,-7.25,)|

Structure