Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase kinase kinase kinase 2
Ligand
BDBM51805
Substrate
n/a
Meas. Tech.
Dose Response Confirmation Screen via Multiplex HTS Assay for Inhibitors of MEK Kinase PB1 Domains, specifically MEK5 binding to MEK Kinase 2 Mutant
EC50
2230±n/a nM
Citation
 PubChem, PC Dose Response Confirmation Screen via Multiplex HTS Assay for Inhibitors of MEK Kinase PB1 Domains, specifically MEK5 binding to MEK Kinase 2 Mutant PubChem Bioassay (2009)[AID] 
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:
BDBM51805
Synonyms:
3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(4-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine | 3-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,7-dimethoxy-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-imine | 3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-imine | 3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-[(4-methylphenyl)methylthio]-4-quinazolinimine | MLS000546901 | SMR000180099 | [3-(3-chloro-4-methoxy-benzyl)-6,7-dimethoxy-2-[(4-methylbenzyl)thio]quinazolin-4-ylidene]amine | cid_1489267
Type:
Small organic molecule
Emp. Form.:
C26H26ClN3O3S
Mol. Mass.:
496.021
SMILES:
COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl
Structure:
Search PDB for entries with ligand similarity: