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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Integrin alpha-L | ||
| Ligand | BDBM50265246 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_497066 (CHEMBL997702) | ||
| IC50 | 18±n/a nM | ||
| Citation |  Lin, EY; Guckian, KM; Silvian, L; Chin, D; Boriack-Sjodin, PA; van Vlijmen, H; Friedman, JE; Scott, DM Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors. Bioorg Med Chem Lett18:5245-8 (2008) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Integrin alpha-L | |||
| Name: | Integrin alpha-L | ||
| Synonyms: | CD11 antigen-like family member A | CD11A | CD_antigen=CD11a | ITAL_HUMAN | ITGAL | Integrin alpha-L/beta-2 (LFA-1) | LFA-1A | Leukocyte adhesion glycoprotein LFA-1 alpha | Leukocyte adhesion glycoprotein LFA-1 alpha chain | Leukocyte function-associated molecule 1 alpha chain | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 128748.90 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_629045 | ||
| Residue: | 1170 | ||
| Sequence: |
| ||
| BDBM50265246 | |||
| n/a | |||
| Name | BDBM50265246 | ||
| Synonyms: | (E)-3-(4-(2-((cis)-4-methylcyclohexyloxy)phenylthio)-2,3-bis(trifluoromethyl)phenyl)-1-morpholinoprop-2-en-1-one | CHEMBL524354 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H29F6NO3S | ||
| Mol. Mass. | 573.59 | ||
| SMILES | C[C@H]1CC[C@H](CC1)Oc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(c1C(F)(F)F)C(F)(F)F |r,wU:4.7,1.0,(-7.33,6.45,;-6,5.68,;-4.66,6.45,;-3.34,5.68,;-3.33,4.13,;-4.66,3.36,;-6,4.14,;-1.99,3.37,;-1.99,1.83,;-3.32,1.06,;-3.32,-.49,;-1.98,-1.26,;-.65,-.49,;-.65,1.06,;.68,1.84,;2.02,1.07,;2.01,-.46,;3.35,-1.23,;4.68,-.45,;6.02,-1.21,;7.35,-.44,;8.69,-1.2,;10.02,-.42,;8.69,-2.74,;7.36,-3.51,;7.36,-5.04,;8.7,-5.81,;10.03,-5.03,;10.03,-3.49,;4.67,1.1,;3.34,1.85,;3.32,3.39,;3.31,4.94,;1.78,3.38,;4.86,3.4,;6,1.88,;7.33,2.66,;6.78,.55,;5.99,3.42,)| | ||
| Structure | 
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