Reaction Details Report a problem with these data
Target
Dual specificity mitogen-activated protein kinase kinase 5
Ligand
BDBM31085
Substrate
n/a
Meas. Tech.
ChEMBL_774201 (CHEMBL1908418)
Kd
74±n/a nM
Citation
 Davis, MI; Hunt, JP; Herrgard, S; Ciceri, P; Wodicka, LM; Pallares, G; Hocker, M; Treiber, DK; Zarrinkar, PP Comprehensive analysis of kinase inhibitor selectivity. Nat Biotechnol 29:1046-51 (2011) [PubMed]  Article 
Target
Name:
Dual specificity mitogen-activated protein kinase kinase 5
Synonyms:
MAP kinase kinase 5 | MAP2K5 | MAPK/ERK kinase 5 | MAPKK 5 | MEK5 | MKK5 | MP2K5_HUMAN | PRKMK5
Type:
PROTEIN
Mol. Mass.:
50110.16
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1495740
Residue:
448
Sequence:
MLWLALGPFPAMENQVLVIRIKIPNSGAVDWTVHSGPQLLFRDVLDVIGQVLPEATTTAFEYEDEDGDRITVRSDEEMKAMLSYYYSTVMEQQVNGQLIEPLQIFPRACKPPGERNIHGLKVNTRAGPSQHSSPAVSDSLPSNSLKKSSAELKKILANGQMNEQDIRYRDTLGHGNGGTVYKAYHVPSGKILAVKVILLDITLELQKQIMSELEILYKCDSSYIIGFYGAFFVENRISICTEFMDGGSLDVYRKMPEHVLGRIAVAVVKGLTYLWSLKILHRDVKPSNMLVNTRGQVKLCDFGVSTQLVNSIAKTYVGTNAYMAPERISGEQYGIHSDVWSLGISFMELALGRFPYPQIQKNQGSLMPLQLLQCIVDEDSPVLPVGEFSEPFVHFITQCMRKQPKERPAPEELMGHPFIVQFNDGNAAVVSMWVCRALEERRSQQGPP
  
Inhibitor
Name:
BDBM31085
Synonyms:
1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]urea | 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea | 1-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea | AST-487 | cid_11409972
Type:
Small organic molecule
Emp. Form.:
C26H30F3N7O2
Mol. Mass.:
529.5573
SMILES:
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Structure:
Search PDB for entries with ligand similarity: