Ki Summary

Reaction Details

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Target

Mitogen-activated protein kinase kinase kinase kinase 1

Ligand

BDBM529744

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:

BDBM529744

Synonyms:

US11203591, Example 151

Type:

Small organic molecule

Emp. Form.:

C42H50N8O4

Mol. Mass.:

730.8976

SMILES:

CNC(=O)c1cc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCCCC2)C(=O)C32CCN(CC2)C(=O)[C@@H](C)O)ccc1C |r,wU:27.30,29.35,47.56,(1.81,-9.96,;1.81,-8.42,;.48,-7.65,;-.86,-8.42,;.48,-6.11,;1.81,-5.34,;1.81,-3.8,;3.14,-3.03,;3.14,-1.49,;1.81,-.72,;1.81,.82,;3.14,1.59,;4.48,.82,;5.94,1.3,;6.85,.05,;5.94,-1.19,;6.34,-2.68,;5.94,-4.17,;7.43,-3.77,;4.48,-.72,;.48,1.59,;.48,3.13,;-.86,3.9,;-2.19,3.13,;-2.19,1.59,;-.86,.82,;-3.66,1.12,;-4.06,-.37,;-3.29,-1.7,;-4.62,-2.47,;-5.39,-1.14,;-5.02,-3.96,;-6.5,-4.36,;-6.9,-5.85,;-5.81,-6.94,;-4.33,-6.54,;-3.93,-5.05,;-4.56,2.36,;-6.1,2.36,;-3.66,3.61,;-2.57,4.7,;-2.97,6.19,;-4.45,6.58,;-5.54,5.49,;-5.14,4.01,;-4.85,8.07,;-3.76,9.16,;-6.34,8.47,;-7.43,7.38,;-6.74,9.96,;.48,-3.03,;-.86,-3.8,;-.86,-5.34,;-2.19,-6.11,)|

Structure: