Reaction Details | |||
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Target | Galectin-1 | ||
Ligand | BDBM620309 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Evaluation of Compound Inhibitory Activity (IC50) | ||
IC50 | 300±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: |
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BDBM620309 | |||
n/a | |||
Name | BDBM620309 | ||
Synonyms: | US20230295182, Example 1.41 | US20230295182, Example 1.42 | tert-butyl ((5r,8R)-3-(((2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3- methoxy-4-(4-(2,3,4-trifluorophenyl)-1H-1,2,3-triazol-1-yl)tetrahydro-2H- pyran-2-yl)methyl)-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl)carbamate | ||
Type | Small organic molecule | ||
Emp. Form. | C29H38F3N5O7 | ||
Mol. Mass. | 625.6365 | ||
SMILES | COC1=C(N2C[C@@H](NN2)c2ccc(F)c(F)c2F)C(O)=C(CO)O[C@@H]1CC1=NO[C@@]2(C1)CC[C@@H](CC2)NC(=O)OC(C)(C)C |wU:29.31,6.9,24.27,wD:33.40,c:2,t:21,29,(-1.33,-.88,;-2.23,-2.13,;-3.76,-1.97,;-4.39,-.56,;-3.48,.69,;-1.94,.69,;-1.47,2.15,;-2.71,3.06,;-3.96,2.15,;-0,2.63,;1.14,1.6,;2.61,2.07,;2.93,3.58,;4.39,4.05,;1.78,4.61,;2.1,6.11,;.32,4.13,;-.83,5.16,;-5.92,-.4,;-6.55,1.01,;-6.83,-1.65,;-8.36,-1.48,;-9.26,-2.73,;-6.2,-3.05,;-4.67,-3.21,;-4.04,-4.62,;-2.51,-4.78,;-1.74,-6.11,;-.23,-5.79,;-.07,-4.26,;-1.48,-3.64,;-.07,-2.72,;1.26,-1.95,;2.59,-2.72,;2.59,-4.26,;1.26,-5.03,;3.93,-1.95,;5.26,-2.72,;5.26,-4.26,;6.6,-1.95,;7.93,-2.72,;9.26,-1.95,;9.26,-3.49,;7.93,-4.26,)| | ||
Structure |