Ki Summary

Reaction Details

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Target

Tyrosine-protein kinase Lck

Ligand

BDBM50086671

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1477116 (CHEMBL3428283)

1600±n/a nM

Citation

Burch, JD; Barrett, K; Chen, Y; DeVoss, J; Eigenbrot, C; Goldsmith, R; Ismaili, MH; Lau, K; Lin, Z; Ortwine, DF; Zarrin, AA; McEwan, PA; Barker, JJ; Ellebrandt, C; Kordt, D; Stein, DB; Wang, X; Chen, Y; Hu, B; Xu, X; Yuen, PW; Zhang, Y; Pei, Z Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo. J Med Chem58:3806-16 (2015) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Tyrosine-protein kinase Lck

Name:

Tyrosine-protein kinase Lck

Synonyms:

Type:

n/a

Mol. Mass.:

57987.83

Organism:

Homo sapiens (Human)

Description:

P06239

Residue:

509

Sequence:

MGCGCSSHPEDDWMENIDVCENCHYPIVPLDGKGTLLIRNGSEVRDPLVTYEGSNPPASP
LQDNLVIALHSYEPSHDGDLGFEKGEQLRILEQSGEWWKAQSLTTGQEGFIPFNFVAKAN
SLEPEPWFFKNLSRKDAERQLLAPGNTHGSFLIRESESTAGSFSLSVRDFDQNQGEVVKH
YKIRNLDNGGFYISPRITFPGLHELVRHYTNASDGLCTRLSRPCQTQKPQKPWWEDEWEV
PRETLKLVERLGAGQFGEVWMGYYNGHTKVAVKSLKQGSMSPDAFLAEANLMKQLQHQRL
VRLYAVVTQEPIYIITEYMENGSLVDFLKTPSGIKLTINKLLDMAAQIAEGMAFIEERNY
IHRDLRAANILVSDTLSCKIADFGLARLIEDNEYTAREGAKFPIKWTAPEAINYGTFTIK
SDVWSFGILLTEIVTHGRIPYPGMTNPEVIQNLERGYRMVRPDNCPEELYQLMRLCWKER
PEDRPTFDYLRSVLEDFFTATEGQYQPQP

BDBM50086671

n/a

Name

BDBM50086671

Synonyms:

CHEMBL3426305

Type

Small organic molecule

Emp. Form.

C25H31N5O2S

Mol. Mass.

465.611

SMILES

CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](C1CC[S+]([O-])CC1)c1ccccc1 |r,wU:19.22,(6.24,-16.51,;7.44,-16.22,;7.85,-15.06,;8.94,-15.9,;10,-17.05,;9.51,-18.51,;8.01,-18.84,;6.96,-17.71,;7.86,-20.36,;9.28,-20.98,;10.28,-19.84,;11.81,-20,;12.53,-19,;12.44,-21.4,;13.97,-21.56,;14.72,-22.89,;16.23,-22.57,;16.38,-21.03,;14.97,-20.41,;17.71,-20.26,;17.71,-18.72,;19.04,-17.95,;19.04,-16.41,;17.7,-15.64,;17.7,-14.41,;16.37,-16.42,;16.38,-17.96,;19.05,-21.03,;20.38,-20.26,;21.72,-21.03,;21.72,-22.57,;20.38,-23.34,;19.05,-22.57,)|

Structure