Reaction Details |
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Target | E-selectin |
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Ligand | BDBM50087287 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_199877 (CHEMBL803778) |
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IC50 | 86000±n/a nM |
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Citation | Hiramatsu, Y; Tsukida, T; Nakai, Y; Inoue, Y; Kondo, H Study on selectin blocker. 8. Lead discovery of a non-sugar antagonist using a 3D-pharmacophore model. J Med Chem43:1476-83 (2000) [PubMed] |
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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: | Elam-1 | LYAM2_MOUSE | Sele | Selectin E |
Type: | PROTEIN |
Mol. Mass.: | 66749.86 |
Organism: | Mus musculus |
Description: | ChEMBL_199837 |
Residue: | 612 |
Sequence: | MNASRFLSALVFVLLAGESTAWYYNASSELMTYDEASAYCQRDYTHLVAIQNKEEINYLN
SNLKHSPSYYWIGIRKVNNVWIWVGTGKPLTEEAQNWAPGEPNNKQRNEDCVEIYIQRTK
DSGMWNDERCNKKKLALCYTASCTNASCSGHGECIETINSYTCKCHPGFLGPNCEQAVTC
KPQEHPDYGSLNCSHPFGPFSYNSSCSFGCKRGYLPSSMETTVRCTSSGEWSAPAPACHV
VECEALTHPAHGIRKCSSNPGSYPWNTTCTFDCVEGYRRVGAQNLQCTSSGIWDNETPSC
KAVTCDAIPQPQNGFVSCSHSTAGELAFKSSCNFTCEQSFTLQGPAQVECSAQGQWTPQI
PVCKAVQCEALSAPQQGNMKCLPSASGPFQNGSSCEFSCEEGFELKGSRRLQCGPRGEWD
SKKPTCSAVKCDDVPRPQNGVMECAHATTGEFTYKSSCAFQCNEGFSLHGSAQLECTSQG
KWTQEVPSCQVVQCPSLDVPGKMNMSCSGTAVFGTVCEFTCPDDWTLNGSAVLTCGATGR
WSGMPPTCEAPVSPTRPLVVALSAAGTSLLTSSSLLYLLMRYFRKKAKKFVPASSCQSLQ
SFENYHVPSYNV
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BDBM50087287 |
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n/a |
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Name | BDBM50087287 |
Synonyms: | 4-(3-Carboxy-phenoxy)-3-(4-octadecanoylamino-benzoylamino)-benzoic acid | CHEMBL37284 |
Type | Small organic molecule |
Emp. Form. | C39H50N2O7 |
Mol. Mass. | 658.8235 |
SMILES | CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1Oc1cccc(c1)C(O)=O)C(O)=O |
Structure |
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