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Target
Early activation antigen CD69
Ligand
BDBM50588045
Substrate
n/a
Meas. Tech.
ChEMBL_2186320 (CHEMBL5098402)
IC50
90±n/a nM
Citation
 Hopkins, BT; Bame, E; Bell, N; Bohnert, T; Bowden-Verhoek, JK; Bui, M; Cancilla, MT; Conlon, P; Cullen, P; Erlanson, DA; Fan, J; Fuchs-Knotts, T; Hansen, S; Heumann, S; Jenkins, TJ; Gua, C; Liu, Y; Liu, Y; Lulla, M; Marcotte, D; Marx, I; McDowell, B; Mertsching, E; Negrou, E; Romanowski, MJ; Scott, D; Silvian, L; Yang, W; Zhong, M Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg Med Chem 44:0 (2021) [PubMed] 
Target
Name:
Early activation antigen CD69
Synonyms:
AIM | Activation inducer molecule | BL-AC/P26 | C-type lectin domain family 2 member C | CD69 | CD69_HUMAN | CD_antigen=CD69 | CLEC2C | EA1 | Early T-cell activation antigen p60 | Early activation antigen CD69 | GP32/28 | Leukocyte surface antigen Leu-23 | MLR-3
Type:
PROTEIN
Mol. Mass.:
22559.65
Organism:
Homo sapiens
Description:
ChEMBL_109097
Residue:
199
Sequence:
MSSENCFVAENSSLHPESGQENDATSPHFSTRHEGSFQVPVLCAVMNVVFITILIIALIALSVGQYNCPGQYTFSMPSDSHVSSCSEDWVGYQRKCYFISTVKRSWTSAQNACSEHGATLAVIDSEKDMNFLKRYAGREEHWVGLKKEPGHPWKWSNGKEFNNWFNVTGSDKCVFLKNTEVSSMECEKNLYWICNKPYK
  
Inhibitor
Name:
BDBM50588045
Synonyms:
CHEMBL5206309
Type:
Small organic molecule
Emp. Form.:
C21H23ClFN7O
Mol. Mass.:
443.905
SMILES:
Fc1cc(Cl)cc(N[C@@H]2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ncc34)C2=O)c1 |r|
Structure:
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