Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase Tec
Ligand
BDBM50458601
Substrate
n/a
Meas. Tech.
Kinase Inhibition Assay
IC50
0.100±n/a nM
Citation
 Laurent, A; Morris, SJ Spirocyclic containing compounds and pharmaceutical uses thereof US Patent  US10752615 Publication Date 8/25/2020 
Target
Name:
Tyrosine-protein kinase Tec
Synonyms:
PSCTK4 | TEC | TEC_HUMAN | Tyrosine-protein kinase TEC (TEC)
Type:
Protein
Mol. Mass.:
73597.00
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
631
Sequence:
MNFNTILEEILIKRSQQKKKTSPLNYKERLFVLTKSMLTYYEGRAEKKYRKGFIDVSKIKCVEIVKNDDGVIPCQNKYPFQVVHDANTLYIFAPSPQSRDLWVKKLKEEIKNNNNIMIKYHPKFWTDGSYQCCRQTEKLAPGCEKYNLFESSIRKALPPAPETKKRRPPPPIPLEEEDNSEEIVVAMYDFQAAEGHDLRLERGQEYLILEKNDVHWWRARDKYGNEGYIPSNYVTGKKSNNLDQYEWYCRNMNRSKAEQLLRSEDKEGGFMVRDSSQPGLYTVSLYTKFGGEGSSGFRHYHIKETTTSPKKYYLAEKHAFGSIPEIIEYHKHNAAGLVTRLRYPVSVKGKNAPTTAGFSYEKWEINPSELTFMRELGSGLFGVVRLGKWRAQYKVAIKAIREGAMCEEDFIEEAKVMMKLTHPKLVQLYGVCTQQKPIYIVTEFMERGCLLNFLRQRQGHFSRDVLLSMCQDVCEGMEYLERNSFIHRDLAARNCLVSEAGVVKVSDFGMARYVLDDQYTSSSGAKFPVKWCPPEVFNYSRFSSKSDVWSFGVLMWEVFTEGRMPFEKYTNYEVVTMVTRGHRLYQPKLASNYVYEVMLRCWQEKPEGRPSFEDLLRTIDELVECEETFGR
  
Inhibitor
Name:
BDBM50458601
Synonyms:
CHEMBL4217959 | US10752615, Compound 138
Type:
Small organic molecule
Emp. Form.:
C26H25N7O2S
Mol. Mass.:
499.587
SMILES:
Nc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(69.86,-5.85,;68.46,-6.5,;68.32,-8.04,;66.91,-8.67,;65.66,-7.78,;65.81,-6.25,;67.21,-5.61,;64.56,-5.35,;64.55,-3.82,;63.09,-3.36,;62.2,-4.61,;63.11,-5.84,;60.66,-4.63,;59.89,-3.3,;59.9,-5.96,;58.36,-5.97,;57.44,-4.72,;55.97,-5.21,;54.63,-4.45,;53.31,-5.22,;53.3,-6.76,;54.64,-7.53,;55.98,-6.76,;57.46,-7.23,;57.94,-8.69,;59.31,-9.38,;58.62,-10.76,;57.24,-10.07,;60.12,-11.09,;60.27,-12.63,;58.86,-13.24,;57.84,-12.09,;58.53,-14.75,;59.67,-15.79,;57.07,-15.22,;56.74,-16.72,)|
Structure:
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