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Target
P-selectin
Ligand
BDBM50100507
Substrate
n/a
Meas. Tech.
ChEMBL_147990 (CHEMBL754115)
IC50
290±n/a nM
Citation
 Slee, DH; Romano, SJ; Yu, J; Nguyen, TN; John, JK; Raheja, NK; Axe, FU; Jones, TK; Ripka, WC Development of potent non-carbohydrate imidazole-based small molecule selectin inhibitors with antiinflammatory activity. J Med Chem 44:2094-107 (2001) [PubMed]  Article 
Target
Name:
P-selectin
Synonyms:
GMRP | GRMP | LYAM3_HUMAN | P-selectin | P-selectin/P-selectin glycoprotein ligand 1 | SELP
Type:
PROTEIN
Mol. Mass.:
90834.61
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1438999
Residue:
830
Sequence:
MANCQIAILYQRFQRVVFGISQLLCFSALISELTNQKEVAAWTYHYSTKAYSWNISRKYCQNRYTDLVAIQNKNEIDYLNKVLPYYSSYYWIGIRKNNKTWTWVGTKKALTNEAENWADNEPNNKRNNEDCVEIYIKSPSAPGKWNDEHCLKKKHALCYTASCQDMSCSKQGECLETIGNYTCSCYPGFYGPECEYVRECGELELPQHVLMNCSHPLGNFSFNSQCSFHCTDGYQVNGPSKLECLASGIWTNKPPQCLAAQCPPLKIPERGNMTCLHSAKAFQHQSSCSFSCEEGFALVGPEVVQCTASGVWTAPAPVCKAVQCQHLEAPSEGTMDCVHPLTAFAYGSSCKFECQPGYRVRGLDMLRCIDSGHWSAPLPTCEAISCEPLESPVHGSMDCSPSLRAFQYDTNCSFRCAEGFMLRGADIVRCDNLGQWTAPAPVCQALQCQDLPVPNEARVNCSHPFGAFRYQSVCSFTCNEGLLLVGASVLQCLATGNWNSVPPECQAIPCTPLLSPQNGTMTCVQPLGSSSYKSTCQFICDEGYSLSGPERLDCTRSGRWTDSPPMCEAIKCPELFAPEQGSLDCSDTRGEFNVGSTCHFSCDNGFKLEGPNNVECTTSGRWSATPPTCKGIASLPTPGLQCPALTTPGQGTMYCRHHPGTFGFNTTCYFGCNAGFTLIGDSTLSCRPSGQWTAVTPACRAVKCSELHVNKPIAMNCSNLWGNFSYGSICSFHCLEGQLLNGSAQTACQENGHWSTTVPTCQAGPLTIQEALTYFGGAVASTIGLIMGGTLLALLRKRFRQKDDGKCPLNPHSHLGTYGVFTNAAFDPSP
  
Inhibitor
Name:
BDBM50100507
Synonyms:
3-(4-{4-[4-(2-Carboxy-vinyl)-phenyl]-5-[4-(2-hexadecylcarbamoyl-vinyl)-phenyl]-1H-imidazol-2-yl}-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid | CHEMBL302139
Type:
Small organic molecule
Emp. Form.:
C47H56N4O6
Mol. Mass.:
772.9707
SMILES:
CCCCCCCCCCCCCCCCNC(=O)C=Cc1ccc(cc1)-c1[nH]c(nc1-c1ccc(C=CC(O)=O)cc1)-c1ccc(cc1)C1=NOC(C1)C(O)=O |w:19.18,37.39,t:53|
Structure:
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