Reaction Details Report a problem with these data
Target
High affinity nerve growth factor receptor
Ligand
BDBM127726
Substrate
n/a
Meas. Tech.
TrkA ELISA Assay
IC50
4.70±n/a nM
Citation
 Allen, S; Andrews, SW; Condroski, KR; Haas, J; Huang, L; Jiang, Y; Kercher, T; Seo, J Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors US Patent  US10758542 Publication Date 9/1/2020 
Target
Name:
High affinity nerve growth factor receptor
Synonyms:
2.7.10.1 | MTC | NTRK1 | NTRK1/NTRK2 | NTRK1_HUMAN | Nerve growth factor receptor Trk-A | Neurotrophic tyrosine kinase receptor type 1 | Neurotrophic tyrosine kinase receptor type 1 (TrkA) | Synonyms=MTC | TRK | TRK1-transforming tyrosine kinase protein | TRKA | TRKA GN | TRKA GN | Trk-A | Tropomyosin alpha-3 chain/High affinity nerve growth factor receptor | Tropomyosin-related kinase A | Tropomyosin-related kinase A (TrkA) | Tyrosine kinase receptor | Tyrosine kinase receptor (Trk) | Tyrosine kinase receptor A | Tyrosine kinase receptor A (Trk A) | Tyrosine kinase receptor A (Trk-A) | Tyrosine kinase receptor A (TrkA) | gp140trk | p140-TrkA
Type:
n/a
Mol. Mass.:
87498.18
Organism:
Homo sapiens (Human)
Description:
P04629
Residue:
796
Sequence:
MLRGGRRGQLGWHSWAAGPGSLLAWLILASAGAAPCPDACCPHGSSGLRCTRDGALDSLHHLPGAENLTELYIENQQHLQHLELRDLRGLGELRNLTIVKSGLRFVAPDAFHFTPRLSRLNLSFNALESLSWKTVQGLSLQELVLSGNPLHCSCALRWLQRWEEEGLGGVPEQKLQCHGQGPLAHMPNASCGVPTLKVQVPNASVDVGDDVLLRCQVEGRGLEQAGWILTELEQSATVMKSGGLPSLGLTLANVTSDLNRKNVTCWAENDVGRAEVSVQVNVSFPASVQLHTAVEMHHWCIPFSVDGQPAPSLRWLFNGSVLNETSFIFTEFLEPAANETVRHGCLRLNQPTHVNNGNYTLLAANPFGQASASIMAAFMDNPFEFNPEDPIPVSFSPVDTNSTSGDPVEKKDETPFGVSVAVGLAVFACLFLSTLLLVLNKCGRRNKFGINRPAVLAPEDGLAMSLHFMTLGGSSLSPTEGKGSGLQGHIIENPQYFSDACVHHIKRRDIVLKWELGEGAFGKVFLAECHNLLPEQDKMLVAVKALKEASESARQDFQREAELLTMLQHQHIVRFFGVCTEGRPLLMVFEYMRHGDLNRFLRSHGPDAKLLAGGEDVAPGPLGLGQLLAVASQVAAGMVYLAGLHFVHRDLATRNCLVGQGLVVKIGDFGMSRDIYSTDYYRVGGRTMLPIRWMPPESILYRKFTTESDVWSFGVVLWEIFTYGKQPWYQLSNTEAIDCITQGRELERPRACPPEVYAIMRGCWQREPQQRHSIKDVHARLQALAQAPPVYLDVLG
  
Inhibitor
Name:
BDBM127726
Synonyms:
US10251889, Example 100 | US10758542, Example 100 | US8791123, 99 | US9782415, Example 99 | US9796724, Example 100
Type:
Small organic molecule
Emp. Form.:
C22H25FN6O2
Mol. Mass.:
424.4713
SMILES:
O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r,wD:23.27,1.0,(7.01,-5.81,;6.24,-4.48,;7.01,-3.14,;6.24,-1.81,;4.7,-1.81,;3.93,-3.14,;4.7,-4.48,;3.93,-.47,;5.02,.61,;6.5,.22,;4.62,2.1,;5.52,3.35,;4.62,4.59,;3.15,4.12,;1.82,4.89,;.49,4.12,;.49,2.58,;1.82,1.81,;3.15,2.58,;-.85,1.81,;-.37,.34,;-1.62,-.56,;-2.86,.34,;-2.39,1.81,;-3.16,3.14,;-2.39,4.48,;-3.16,5.81,;-4.7,5.81,;-5.47,4.48,;-7.01,4.48,;-4.7,3.14,)|
Structure:
Search PDB for entries with ligand similarity: