Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Galectin-1 | ||
Ligand | BDBM620325 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Evaluation of Compound Inhibitory Activity (IC50) | ||
IC50 | 530±n/a nM | ||
Citation | BOLLLI, M; GATFIELD, J; GRISOSTOMI, C; REMEN, L; SAGER, C; ZUMBRUNN, C SPIRO DERIVATIVES OF ALPHA-D-GALACTOPYRANOSIDES US Patent US20230295182 Publication Date 9/21/2023 | ||
More Info.: | Get all data from this article, Assay Method | ||
Galectin-1 | |||
Name: | Galectin-1 | ||
Synonyms: | 14 kDa lectin | Galaptin | HPL | LEG1_HUMAN | LGALS1 | Lactose-binding lectin 1 | Lectin galactoside-binding soluble 1 | Putative MAPK-activating protein PM12 | ||
Type: | beta galactoside-binding protein | ||
Mol. Mass.: | 14713.53 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P09382 | ||
Residue: | 135 | ||
Sequence: |
| ||
BDBM620325 | |||
n/a | |||
Name | BDBM620325 | ||
Synonyms: | (5r,8R)-3-(((2R,3R,4S,5R,6R)-4-(4-(2,3-difluoro-4-methylphenyl)-1H-1,2,3- triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)-3-methoxytetrahydro-2H-pyran-2- yl)methyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-8-carbonitrile | US20230295182, Example 1.57 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H31F2N5O5 | ||
Mol. Mass. | 531.5516 | ||
SMILES | CO[C@H]1[C@@H](CC2=NO[C@@]3(C2)CC[C@@H](CC3)C#N)O[C@H](CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(C)c(F)c1F |wU:8.7,18.20,21.23,23.26,wD:12.16,2.1,3.3,t:5,(1.42,-1.39,;1.42,-2.93,;2.75,-3.7,;2.75,-5.24,;1.42,-6.01,;.09,-5.24,;-.08,-3.71,;-1.58,-3.39,;-2.35,-4.72,;-1.32,-5.86,;-2.98,-6.13,;-4.51,-6.29,;-5.41,-5.04,;-4.79,-3.63,;-3.26,-3.47,;-6.95,-5.2,;-8.48,-5.36,;4.09,-6.01,;5.42,-5.24,;6.75,-6.01,;8.09,-5.24,;5.42,-3.7,;6.75,-2.93,;4.09,-2.93,;4.09,-1.39,;5.33,-.48,;4.86,.98,;3.32,.98,;2.84,-.48,;5.76,2.23,;7.29,2.07,;8.2,3.31,;7.57,4.72,;8.48,5.97,;6.04,4.88,;5.41,6.29,;5.14,3.63,;3.6,3.8,)| | ||
Structure |