Reaction Details Report a problem with these data
Target
P-selectin
Ligand
BDBM50100511
Substrate
n/a
Meas. Tech.
ChEMBL_147995 (CHEMBL755823)
IC50
21000±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:
BDBM50100511
Synonyms:
3-[4-(2-[4-(2-Carboxy-vinyl)-phenyl]-5-{4-[2-(3-phenyl-propylcarbamoyl)-vinyl]-phenyl}-1H-imidazol-4-yl)-phenyl]-4,5-dihydro-isoxazole-5-carboxylic acid | CHEMBL292851
Type:
Small organic molecule
Emp. Form.:
C40H34N4O6
Mol. Mass.:
666.7212
SMILES:
OC(=O)C=Cc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(C=CC(=O)NCCCc2ccccc2)cc1)-c1ccc(cc1)C1=NOC(C1)C(O)=O |w:21.23,3.2,t:47|
Structure:
Search PDB for entries with ligand similarity: