Ki Summary

Reaction Details

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Target

Proto-oncogene tyrosine-protein kinase Src

Ligand

BDBM50374621

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_469609 (CHEMBL934188)

IC50

77±n/a nM

Citation

Martin, MW; Newcomb, J; Nunes, JJ; Boucher, C; Chai, L; Epstein, LF; Faust, T; Flores, S; Gallant, P; Gore, A; Gu, Y; Hsieh, F; Huang, X; Kim, JL; Middleton, S; Morgenstern, K; Oliveira-dos-Santos, A; Patel, VF; Powers, D; Rose, P; Tudor, Y; Turci, SM; Welcher, AA; Zack, D; Zhao, H; Zhu, L; Zhu, X; Ghiron, C; Ermann, M; Johnston, D; Saluste, CG Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity. J Med Chem51:1637-48 (2008) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Proto-oncogene tyrosine-protein kinase Src

Name:

Proto-oncogene tyrosine-protein kinase Src

Synonyms:

Type:

Protein

Mol. Mass.:

59838.60

Organism:

Homo sapiens (Human)

Description:

P12931

Residue:

536

Sequence:

MGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGPSAAFAPAAAE
PKLFGGFNSSDTVTSPQRAGPLAGGVTTFVALYDYESRTETDLSFKKGERLQIVNNTEGD
WWLAHSLSTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRES
ETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGL
CHRLTTVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTL
KPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGETGKY
LRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLARLIEDNEYT
ARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVER
GYRMPCPPECPESLHDLMCQCWRKEPEERPTFEYLQAFLEDYFTSTEPQYQPGENL

BDBM50374621

n/a

Name

BDBM50374621

Synonyms:

CHEMBL260956

Type

Small organic molecule

Emp. Form.

C35H38N8O4

Mol. Mass.

634.7274

SMILES

COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc(OC)c1OCCN1CCN(C)CC1 |(-2.05,-47.19,;-3.39,-47.96,;-3.39,-49.5,;-2.06,-50.27,;-2.07,-51.81,;-.74,-52.59,;.59,-51.82,;.6,-50.27,;1.92,-49.5,;3.26,-50.27,;3.26,-51.81,;1.92,-52.59,;4.6,-52.58,;4.92,-54.08,;4.01,-55.32,;4.62,-56.73,;6.16,-56.89,;7.06,-55.66,;6.44,-54.26,;7.08,-52.85,;5.93,-51.82,;5.94,-50.27,;7.27,-49.5,;7.27,-47.97,;5.93,-47.2,;8.59,-47.2,;9.94,-47.97,;9.93,-49.51,;8.6,-50.28,;8.59,-51.82,;4.59,-49.49,;4.59,-47.95,;-3.39,-52.58,;-4.73,-51.82,;-6.06,-52.59,;-7.39,-51.82,;-4.73,-50.27,;-6.06,-49.5,;-7.4,-50.27,;-8.73,-49.5,;-8.74,-47.96,;-7.41,-47.18,;-7.42,-45.65,;-8.75,-44.88,;-8.76,-43.34,;-10.08,-45.66,;-10.07,-47.2,)|

Structure