Reaction Details Report a problem with these data
Target
High affinity nerve growth factor receptor [441-796]
Ligand
BDBM226845
Substrate
n/a
Meas. Tech.
Cell Based Assay
Temperature
310.15±n/a K
IC50
4.46±n/a nM
Comments
extracted
Citation
 Bagal, SK; Cui, JJ; Greasley, SE; Lunney, EA; McAlpine, IJ; Nagata, A; Ninkovic, S; Omoto, K; Skerratt, SE; Storer, RI; Warmus, JS Tropomyosin-related kinase inhibitors US Patent  US9328096 Publication Date 5/3/2016 
Target
Name:
High affinity nerve growth factor receptor [441-796]
Synonyms:
MTC | NTRK1 | NTRK1_HUMAN | TRK | TRKA | Tyrosine kinase receptor A | Tyrosine kinase receptor A (TrkA)
Type:
Protein
Mol. Mass.:
39939.20
Organism:
Homo sapiens (Human)
Description:
Human his-tagged TrkA cytoplasmic domain (441-796 aa)
Residue:
356
Sequence:
KCGRRNKFGINRPAVLAPEDGLAMSLHFMTLGGSSLSPTEGKGSGLQGHIIENPQYFSDACVHHIKRRDIVLKWELGEGAFGKVFLAECHNLLPEQDKMLVAVKALKEASESARQDFQREAELLTMLQHQHIVRFFGVCTEGRPLLMVFEYMRHGDLNRFLRSHGPDAKLLAGGEDVAPGPLGLGQLLAVASQVAAGMVYLAGLHFVHRDLATRNCLVGQGLVVKIGDFGMSRDIYSTDYYRVGGRTMLPIRWMPPESILYRKFTTESDVWSFGVVLWEIFTYGKQPWYQLSNTEAIDCITQGRELERPRACPPEVYAIMRGCWQREPQQRHSIKDVHARLQALAQAPPVYLDVLG
  
Inhibitor
Name:
BDBM226845
Synonyms:
US9328096, 538
Type:
Small organic molecule
Emp. Form.:
C28H24Cl2FN5O3
Mol. Mass.:
568.426
SMILES:
O[C@H]1CC[C@H](CC1)NC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ncccc2F)n(n1)-c1ccccc1 |wU:1.0,4.7,(.23,-5.74,;-1.3,-5.57,;-2.2,-6.82,;-3.74,-6.66,;-4.36,-5.25,;-3.46,-4.01,;-1.93,-4.17,;-5.89,-5.09,;-6.52,-3.69,;-8.05,-3.52,;-5.62,-2.44,;-4.08,-2.44,;-3.6,-.97,;-2.14,-.5,;-.99,-1.53,;-1.31,-3.04,;.47,-1.05,;1.62,-2.08,;3.08,-1.61,;3.4,-.1,;4.87,.37,;2.26,.93,;.79,.45,;-.35,1.48,;4.23,-2.64,;3.91,-4.14,;5.05,-5.18,;6.52,-4.7,;6.84,-3.19,;5.69,-2.16,;6.01,-.66,;-4.85,-.07,;-6.09,-.97,;-4.85,1.47,;-6.18,2.24,;-6.18,3.78,;-4.85,4.55,;-3.51,3.78,;-3.51,2.24,)|
Structure:
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