Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase kinase kinase kinase 2
Ligand
BDBM50316253
Substrate
n/a
Meas. Tech.
ChEMBL_628519 (CHEMBL1104641)
IC50
>50000±n/a nM
Citation
 Verheijen, JC; Richard, DJ; Curran, K; Kaplan, J; Lefever, M; Nowak, P; Malwitz, DJ; Brooijmans, N; Toral-Barza, L; Zhang, WG; Lucas, J; Hollander, I; Ayral-Kaloustian, S; Mansour, TS; Yu, K; Zask, A Discovery of 4-morpholino-6-aryl-1H-pyrazolo[3,4-d]pyrimidines as highly potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR): optimization of the 6-aryl substituent. J Med Chem 52:8010-24 (2009) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase kinase kinase kinase 2
Synonyms:
2.7.11.1 | B lymphocyte serine/threonine-protein kinase | GC kinase | GCK | Germinal center kinase | M4K2_HUMAN | MAP4K2 | MAPK/ERK kinase kinase kinase 2 | MEK kinase kinase 2 | MEKKK 2 | RAB8IP | Rab8-interacting protein
Type:
n/a
Mol. Mass.:
91551.35
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
820
Sequence:
MALLRDVSLQDPRDRFELLQRVGAGTYGDVYKARDTVTSELAAVKIVKLDPGDDISSLQQEITILRECRHPNVVAYIGSYLRNDRLWICMEFCGGGSLQEIYHATGPLEERQIAYVCREALKGLHHLHSQGKIHRDIKGANLLLTLQGDVKLADFGVSGELTASVAKRRSFIGTPYWMAPEVAAVERKGGYNELCDVWALGITAIELGELQPPLFHLHPMRALMLMSKSSFQPPKLRDKTRWTQNFHHFLKLALTKNPKKRPTAEKLLQHPFTTQQLPRALLTQLLDKASDPHLGTPSPEDCELETYDMFPDTIHSRGQHGPAERTPSEIQFHQVKFGAPRRKETDPLNEPWEEEWTLLGKEELSGSLLQSVQEALEERSLTIRSASEFQELDSPDDTMGTIKRAPFLGPLPTDPPAEEPLSSPPGTLPPPPSGPNSSPLLPTAWATMKQREDPERSSCHGLPPTPKVHMGACFSKVFNGCPLRIHAAVTWIHPVTRDQFLVVGAEEGIYTLNLHELHEDTLEKLISHRCSWLYCVNNVLLSLSGKSTHIWAHDLPGLFEQRRLQQQVPLSIPTNRLTQRIIPRRFALSTKIPDTKGCLQCRVVRNPYTGATFLLAALPTSLLLLQWYEPLQKFLLLKNFSSPLPSPAGMLEPLVLDGKELPQVCVGAEGPEGPGCRVLFHVLPLEAGLTPDILIPPEGIPGSAQQVIQVDRDTILVSFERCVRIVNMQGEPTATLAPELTFDFPIETVVCLQDSVLAFWSHGMQGRSLDTNEVTQEITDETRIFRVLGAHRDIILESIPTDNPEAHSNLYILTGHQSTY
  
Inhibitor
Name:
BDBM50316253
Synonyms:
CHEMBL1095627 | tert-Butyl 4-(6-(4-aminophenyl)-4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C25H33N7O3
Mol. Mass.:
479.5746
SMILES:
CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: