Ki Summary

Reaction Details

Report a problem with these data

Target

Mitogen-activated protein kinase kinase kinase kinase 1

Ligand

BDBM508895

Substrate

n/a

Meas. Tech.

Enzymatic Activity Assay

IC50

0.050±n/a nM

Citation

Balan, G; Bartlett, MJ; Chandrasekhar, J; Codelli, JA; Conway, JH; Cosman, JL; Kalla, RV; Kim, M; Lee, SH; Lo, JR; Loyer-Drew, JA; Mitchell, SA; Perry, TD; Phillips, GB; Salvo, PJ; Van Veldhuizen, JJ; Yeung, SC; Zablocki, J Substituted 6-azabenzimidazole compounds US Patent US11071730 Publication Date 7/27/2021

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:

BDBM508895

Synonyms:

US11071730, Example 10

Type:

Small organic molecule

Emp. Form.:

C41H51FN8O3

Mol. Mass.:

722.8938

SMILES:

CC(C)n1cnc2cc(nc(Nc3ccncc3F)c12)-c1ccc2c(c1)N([C@@H]1C[C@@H](C1)N1C[C@H](C)[C@H](C)C1)C(=O)C21CCN(CC1)C(=O)C(C)(C)CO |r,wU:27.30,29.35,33.38,35.40,(5.73,-5.49,;6.5,-4.16,;8.04,-4.16,;5.73,-2.82,;6.63,-1.58,;5.73,-.33,;4.26,-.81,;2.93,-.04,;1.6,-.81,;1.6,-2.35,;2.93,-3.12,;2.93,-4.66,;1.6,-5.43,;1.6,-6.97,;.26,-7.74,;-1.07,-6.97,;-1.07,-5.43,;.26,-4.66,;.26,-3.12,;4.26,-2.35,;.26,-.04,;.26,1.5,;-1.07,2.27,;-2.4,1.5,;-2.4,-.04,;-1.07,-.81,;-3.87,-.51,;-4.27,-2,;-5.6,-2.77,;-4.83,-4.1,;-3.5,-3.33,;-5.23,-5.59,;-6.69,-6.07,;-6.69,-7.61,;-8.03,-8.38,;-5.23,-8.08,;-4.46,-9.42,;-4.32,-6.84,;-4.77,.73,;-6.31,.73,;-3.87,1.98,;-2.78,3.07,;-3.18,4.56,;-4.67,4.95,;-5.75,3.87,;-5.36,2.38,;-5.06,6.44,;-3.98,7.53,;-6.55,6.84,;-6.95,5.35,;-8.04,6.44,;-6.95,8.33,;-5.86,9.42,)|

Structure: