Reaction Details Report a problem with these data
Target
MAP/microtubule affinity-regulating kinase 3
Ligand
BDBM50305006
Substrate
n/a
Meas. Tech.
ChEMBL_606919 (CHEMBL1072662)
IC50
210±n/a nM
Citation
 Harris, CM; Ericsson, AM; Argiriadi, MA; Barberis, C; Borhani, DW; Burchat, A; Calderwood, DJ; Cunha, GA; Dixon, RW; Frank, KE; Johnson, EF; Kamens, J; Kwak, S; Li, B; Mullen, KD; Perron, DC; Wang, L; Wishart, N; Wu, X; Zhang, X; Zmetra, TR; Talanian, RV 2,4-Diaminopyrimidine MK2 inhibitors. Part II: Structure-based inhibitor optimization. Bioorg Med Chem Lett 20:334-7 (2010) [PubMed]  Article 
Target
Name:
MAP/microtubule affinity-regulating kinase 3
Synonyms:
2.7.11.1 | C-TAK1 | CTAK1 | Cdc25C-associated protein kinase 1 | ELKL motif kinase 2 | EMK-2 | EMK2 | MAP/microtubule affinity-regulating kinase 3 | MAP/microtubule affinity-regulating kinase 3 (MARK 3) | MARK3 | MARK3_HUMAN | Par-1a | Protein kinase STK10 | Ser/Thr protein kinase PAR-1 | Serine/threonine-protein kinase c-TAK1 | Serine/threonine-protein kinase p78
Type:
Protein
Mol. Mass.:
84525.94
Organism:
Homo sapiens (Human)
Description:
P27448
Residue:
753
Sequence:
MSTRTPLPTVNERDTENHTSHGDGRQEVTSRTSRSGARCRNSIASCADEQPHIGNYRLLKTIGKGNFAKVKLARHILTGREVAIKIIDKTQLNPTSLQKLFREVRIMKILNHPNIVKLFEVIETEKTLYLIMEYASGGEVFDYLVAHGRMKEKEARSKFRQIVSAVQYCHQKRIVHRDLKAENLLLDADMNIKIADFGFSNEFTVGGKLDTFCGSPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDGQNLKELRERVLRGKYRIPFYMSTDCENLLKRFLVLNPIKRGTLEQIMKDRWINAGHEEDELKPFVEPELDISDQKRIDIMVGMGYSQEEIQESLSKMKYDEITATYLLLGRKSSELDASDSSSSSNLSLAKVRPSSDLNNSTGQSPHHKVQRSVSSSQKQRRYSDHAGPAIPSVVAYPKRSQTSTADSDLKEDGISSRKSSGSAVGGKGIAPASPMLGNASNPNKADIPERKKSSTVPSSNTASGGMTRRNTYVCSERTTADRHSVIQNGKENSTIPDQRTPVASTHSISSAATPDRIRFPRGTASRSTFHGQPRERRTATYNGPPASPSLSHEATPLSQTRSRGSTNLFSKLTSKLTRRNMSFRFIKRLPTEYERNGRYEGSSRNVSAEQKDENKEAKPRSLRFTWSMKTTSSMDPGDMMREIRKVLDANNCDYEQRERFLLFCVHGDGHAENLVQWEMEVCKLPRLSLNGVRFKRISGTSIAFKNIASKIANELKL
  
Inhibitor
Name:
BDBM50305006
Synonyms:
5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine | CHEMBL590109
Type:
Small organic molecule
Emp. Form.:
C23H19N7S
Mol. Mass.:
425.509
SMILES:
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Structure:
Search PDB for entries with ligand similarity: