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Target
Protein kinase C theta type
Ligand
BDBM50196949
Substrate
n/a
Meas. Tech.
ChEMBL_453152 (CHEMBL902302)
IC50
400±n/a nM
Citation
 Cywin, CL; Dahmann, G; Prokopowicz, AS; Young, ER; Magolda, RL; Cardozo, MG; Cogan, DA; Disalvo, D; Ginn, JD; Kashem, MA; Wolak, JP; Homon, CA; Farrell, TM; Grbic, H; Hu, H; Kaplita, PV; Liu, LH; Spero, DM; Jeanfavre, DD; O'Shea, KM; White, DM; Woska, JR; Brown, ML Discovery of potent and selective PKC-theta inhibitors. Bioorg Med Chem Lett 17:225-30 (2006) [PubMed]  Article 
Target
Name:
Protein kinase C theta type
Synonyms:
KPCT_HUMAN | PRKCQ | PRKCT | Protein kinase C theta | Protein kinase C theta type (PRKCQ) | Protein kinase C, PKC; classical/novel | nPKC-theta
Type:
Serine/threonine-protein kinase
Mol. Mass.:
81878.04
Organism:
Homo sapiens (Human)
Description:
Full-length human PKC theta (Panvera Catalog No. P2996).
Residue:
706
Sequence:
MSPFLRIGLSNFDCGSCQSCQGEAVNPYCAVLVKEYVESENGQMYIQKKPTMYPPWDSTFDAHINKGRVMQIIVKGKNVDLISETTVELYSLAERCRKNNGKTEIWLELKPQGRMLMNARYFLEMSDTKDMNEFETEGFFALHQRRGAIKQAKVHHVKCHEFTATFFPQPTFCSVCHEFVWGLNKQGYQCRQCNAAIHKKCIDKVIAKCTGSAINSRETMFHKERFKIDMPHRFKVYNYKSPTFCEHCGTLLWGLARQGLKCDACGMNVHHRCQTKVANLCGINQKLMAEALAMIESTQQARCLRDTEQIFREGPVEIGLPCSIKNEARPPCLPTPGKREPQGISWESPLDEVDKMCHLPEPELNKERPSLQIKLKIEDFILHKMLGKGSFGKVFLAEFKKTNQFFAIKALKKDVVLMDDDVECTMVEKRVLSLAWEHPFLTHMFCTFQTKENLFFVMEYLNGGDLMYHIQSCHKFDLSRATFYAAEIILGLQFLHSKGIVYRDLKLDNILLDKDGHIKIADFGMCKENMLGDAKTNTFCGTPDYIAPEILLGQKYNHSVDWWSFGVLLYEMLIGQSPFHGQDEEELFHSIRMDNPFYPRWLEKEAKDLLVKLFVREPEKRLGVRGDIRQHPLFREINWEELERKEIDPPFRPKVKSPFDCSNFDKEFLNEKPRLSFADRALINSMDQNMFRNFSFMNPGMERLIS
  
Inhibitor
Name:
BDBM50196949
Synonyms:
CHEMBL394113 | N2-(3,5-dichlorobenzyl)-N4-((4-(aminomethyl)cyclohexyl)methyl)-5-nitropyrimidine-2,4-diamine
Type:
Small organic molecule
Emp. Form.:
C19H24Cl2N6O2
Mol. Mass.:
439.339
SMILES:
NCC1CCC(CNc2nc(NCc3cc(Cl)cc(Cl)c3)ncc2[N+]([O-])=O)CC1 |(21.49,-14.5,;21.49,-12.96,;20.16,-12.18,;18.83,-12.95,;17.5,-12.18,;17.5,-10.65,;16.17,-9.88,;16.17,-8.34,;14.83,-7.57,;13.49,-8.34,;12.16,-7.57,;10.83,-8.34,;9.49,-7.57,;8.16,-8.34,;8.16,-9.87,;6.83,-10.64,;6.84,-12.18,;5.49,-9.87,;5.49,-8.33,;4.16,-7.56,;6.83,-7.56,;12.16,-6.03,;13.49,-5.26,;14.83,-6.02,;16.16,-5.24,;17.5,-6.01,;16.15,-3.7,;18.83,-9.87,;20.16,-10.64,)|
Structure:
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