Reaction Details |
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Target | E-selectin |
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Ligand | BDBM50411202 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_416605 (CHEMBL630112) |
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IC50 | 20000±n/a nM |
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Citation | Ulbrich, HK; Luxenburger, A; Prech, P; Eriksson, EE; Soehnlein, O; Rotzius, P; Lindbom, L; Dannhardt, G A novel class of potent nonglycosidic and nonpeptidic pan-selectin inhibitors. J Med Chem49:5988-99 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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E-selectin |
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Name: | E-selectin |
Synonyms: | ELAM1 | LYAM2_HUMAN | SELE | Selectin | Selectin E |
Type: | PROTEIN |
Mol. Mass.: | 66642.96 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_1438995 |
Residue: | 610 |
Sequence: | MIASQFLSALTLVLLIKESGAWSYNTSTEAMTYDEASAYCQQRYTHLVAIQNKEEIEYLN
SILSYSPSYYWIGIRKVNNVWVWVGTQKPLTEEAKNWAPGEPNNRQKDEDCVEIYIKREK
DVGMWNDERCSKKKLALCYTAACTNTSCSGHGECVETINNYTCKCDPGFSGLKCEQIVNC
TALESPEHGSLVCSHPLGNFSYNSSCSISCDRGYLPSSMETMQCMSSGEWSAPIPACNVV
ECDAVTNPANGFVECFQNPGSFPWNTTCTFDCEEGFELMGAQSLQCTSSGNWDNEKPTCK
AVTCRAVRQPQNGSVRCSHSPAGEFTFKSSCNFTCEEGFMLQGPAQVECTTQGQWTQQIP
VCEAFQCTALSNPERGYMNCLPSASGSFRYGSSCEFSCEQGFVLKGSKRLQCGPTGEWDN
EKPTCEAVRCDAVHQPPKGLVRCAHSPIGEFTYKSSCAFSCEEGFELHGSTQLECTSQGQ
WTEEVPSCQVVKCSSLAVPGKINMSCSGEPVFGTVCKFACPEGWTLNGSAARTCGATGHW
SGLLPTCEAPTESNIPLVAGLSAAGLSLLTLAPFLLWLRKCLRKAKKFVPASSCQSLESD
GSYQKPSYIL
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BDBM50411202 |
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n/a |
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Name | BDBM50411202 |
Synonyms: | CHEMBL216129 |
Type | Small organic molecule |
Emp. Form. | C47H67NO8 |
Mol. Mass. | 774.0368 |
SMILES | [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-c1cc(-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])cc(-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccc(cc2)-[#6](-[#8])=O)-c2ccc(cc2)-[#6](-[#8])=O)c1 |
Structure |
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