Reaction Details Report a problem with these data
Target
Protein kinase C theta type
Ligand
BDBM50302041
Substrate
n/a
Meas. Tech.
ChEMBL_599136 (CHEMBL1047191)
IC50
360±n/a nM
Citation
 Prashad, AS; Wang, D; Subrath, J; Wu, B; Lin, M; Zhang, MY; Kagan, N; Lee, J; Yang, X; Brennan, A; Chaudhary, D; Xu, X; Leung, L; Wang, J; Boschelli, DH C-5 substituted heteroaryl-3-pyridinecarbonitriles as PKCtheta inhibitors: part II. Bioorg Med Chem Lett 19:5799-802 (2009) [PubMed]  Article 
Target
Name:
Protein kinase C theta type
Synonyms:
KPCT_MOUSE | Pkcq | Prkcq | nPKC-theta
Type:
PROTEIN
Mol. Mass.:
81587.36
Organism:
Mus musculus
Description:
ChEMBL_480051
Residue:
707
Sequence:
MSPFLRIGLSNFDCGTCQACQGEAVNPYCAVLVKEYVESENGQMYIQKKPTMYPPWDSTFDAHINKGRVMQIIVKGKNVDLISETTVELYSLAERCRKNNGRTEIWLELKPQGRMLMNARYFLEMSDTKDMSEFENEGFFALHQRRGAIKQAKVHHVKCHEFTATFFPQPTFCSVCHEFVWGLNKQGYQCRQCNAAIHKKCIDKVIAKCTGSAINSRETMFHKERFKIDMPHRFKVYNYKSPTFCEHCGTLLWGLARQGLKCDACGMNVHHRCQTKVANLCGINQKLMAEALAMIESTQQARSLRDSEHIFREGPVEIGLPCSTKNETRPPCVPTPGKREPQGISWDSPLDGSNKSAGPPEPEVSMRRTSLQLKLKIDDFILHKMLGKGSFGKVFLAEFKRTNQFFAIKALKKDVVLMDDDVECTMVEKRVLSLAWEHPFLTHMFCTFQTKENLFFVMEYLNGGDLMYHIQSCHKFDLSRATFYAAEVILGLQFLHSKGIVYRDLKLDNILLDRDGHIKIADFGMCKENMLGDAKTNTFCGTPDYIAPEILLGQKYNHSVDWWSFGVLVYEMLIGQSPFHGQDEEELFHSIRMDNPFYPRWLEREAKDLLVKLFVREPEKRLGVRGDIRQHPLFREINWEELERKEIDPPFRPKVKSPYDCSNFDKEFLSEKPRLSFADRALINSMDQNMFSNFSFINPGMETLICS
  
Inhibitor
Name:
BDBM50302041
Synonyms:
5-(5-((4-methoxypiperazin-1-yl)methyl)benzofuran-2-yl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile | CHEMBL570924
Type:
Small organic molecule
Emp. Form.:
C29H28N6O2
Mol. Mass.:
492.5716
SMILES:
Cc1c(Nc2c(cncc2-c2cc3cc(CN4CC[N+](C)([O-])CC4)ccc3o2)C#N)ccc2[nH]ccc12
Structure:
Search PDB for entries with ligand similarity: