Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase HCK
Ligand
BDBM50357312
Substrate
n/a
Meas. Tech.
ChEMBL_2064999 (CHEMBL4720252)
IC50
3.7±n/a nM
Citation
 He, L; Pei, H; Zhang, C; Shao, M; Li, D; Tang, M; Wang, T; Chen, X; Xiang, M; Chen, L Design, synthesis and biological evaluation of 7H-pyrrolo[2,3-d]pyrimidin-4-amine derivatives as selective Btk inhibitors with improved pharmacokinetic properties for the treatment of rheumatoid arthritis. Eur J Med Chem 145:96-112 (2018) [PubMed]  Article 
Target
Name:
Tyrosine-protein kinase HCK
Synonyms:
HCK | HCK_HUMAN | Hematopoietic cell kinase | Hemopoietic cell kinase | p59-HCK/p60-HCK | p59Hck | p61Hck
Type:
Enzyme Catalytic Domain
Mol. Mass.:
59600.18
Organism:
Homo sapiens (Human)
Description:
P08631
Residue:
526
Sequence:
MGGRSSCEDPGCPRDEERAPRMGCMKSKFLQVGGNTFSKTETSASPHCPVYVPDPTSTIKPGPNSHNSNTPGIREAGSEDIIVVALYDYEAIHHEDLSFQKGDQMVVLEESGEWWKARSLATRKEGYIPSNYVARVDSLETEEWFFKGISRKDAERQLLAPGNMLGSFMIRDSETTKGSYSLSVRDYDPRQGDTVKHYKIRTLDNGGFYISPRSTFSTLQELVDHYKKGNDGLCQKLSVPCMSSKPQKPWEKDAWEIPRESLKLEKKLGAGQFGEVWMATYNKHTKVAVKTMKPGSMSVEAFLAEANVMKTLQHDKLVKLHAVVTKEPIYIITEFMAKGSLLDFLKSDEGSKQPLPKLIDFSAQIAEGMAFIEQRNYIHRDLRAANILVSASLVCKIADFGLARVIEDNEYTAREGAKFPIKWTAPEAINFGSFTIKSDVWSFGILLMEIVTYGRIPYPGMSNPEVIRALERGYRMPRPENCPEELYNIMMRCWKNRPEERPTFEYIQSVLDDFYTATESQYQQQP
  
Inhibitor
Name:
BDBM50357312
Synonyms:
IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compound 1 | US10711006, Compound Ibrutinib | US10793575, Example ibrutinib | US10835536, Ref. Ex. Comp 1 | US10919899, Ibrutinib | US11078206, Example Ibrutinib | US11186578, Example Ibrutinib | US11339167, Example Ibrutinib | US11407754, Example Ibrutinib | US20230364079, Example Ibrutinib | US20240059694, Compound Ibrutinib | US9108973, Ref 1 | US9181263, 1 | US9278100, 1
Type:
Small organic molecule
Emp. Form.:
C25H24N6O2
Mol. Mass.:
440.4971
SMILES:
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Structure:
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