Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetMitogen-activated protein kinase 3
LigandBDBM50364378
Substrate/Competitorn/a
Meas. Tech.ChEMBL_805189
IC50 480±n/a nM
Citation Plantevin Krenitsky, VNadolny, LDelgado, MAyala, LClareen, SSHilgraf, RAlbers, RHegde, SD'Sidocky, NSapienza, JWright, JMcCarrick, MBahmanyar, SChamberlain, PDelker, SLMuir, JGiegel, DXu, LCeleridad, MLachowitzer, JBennett, BMoghaddam, MKhatsenko, OKatz, JFan, RBai, ATang, YShirley, MABenish, BBodine, TBlease, KRaymon, HCathers, BESatoh, Y Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor. Bioorg Med Chem Lett22:1433-8 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Mitogen-activated protein kinase 3
Name:Mitogen-activated protein kinase 3
Synonyms:ERK1 | ERK1/ERK2 | Extracellular signal-regulated kinase 1 | Extracellular signal-regulated kinase 1 (ERK1) | MAP kinase ERK1 | Mitogen-activated protein kinase
Type:Protein
Mol. Mass.:43136.58
Organism:Homo sapiens (Human)
Description:curated by PDB 4QTB
Residue:379
Sequence:
MAAAAAQGGGGGEPRRTEGVGPGVPGEVEMVKGQPFDVGPRYTQLQYIGEGAYGMVSSAY
DHVRKTRVAIKKISPFEHQTYCQRTLREIQILLRFRHENVIGIRDILRASTLEAMRDVYI
VQDLMETDLYKLLKSQQLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLINTTCDL
KICDFGLARIADPEHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLS
NRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINMKARNYLQSLPSKTKVAWAKLFPKSD
SKALDLLDRMLTFNPNKRITVEEALAHPYLEQYYDPTDEPVAEEPFTFAMELDDLPKERL
KELIFQETARFQPGVLEAP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50364378
NameBDBM50364378
Synonyms:CHEMBL1950289
TypeSmall organic molecule
Emp. Form.C21H23F3N6O2
Mol. Mass.448.4415
SMILESO[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a