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Target
P-selectin
Ligand
BDBM50100512
Substrate
n/a
Meas. Tech.
ChEMBL_147995 (CHEMBL755823)
IC50
50000±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:
BDBM50100512
Synonyms:
3-{4-[5-{4-[2-(3-Phenyl-propylcarbamoyl)-vinyl]-phenyl}-2-(4-pyrrolidin-1-yl-phenyl)-1H-imidazol-4-yl]-phenyl}-4,5-dihydro-isoxazole-5-carboxylic acid | CHEMBL305599
Type:
Small organic molecule
Emp. Form.:
C41H39N5O4
Mol. Mass.:
665.7795
SMILES:
OC(=O)C1CC(=NO1)c1ccc(cc1)-c1nc([nH]c1-c1ccc(C=CC(=O)NCCCc2ccccc2)cc1)-c1ccc(cc1)N1CCCC1 |w:24.27,c:5|
Structure:
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