BDBM50214504 CHEMBL3215420
SMILES: [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H]-1-[#8]-[#6@@H](-[#6]-[#8])-[#6@@H](-[#8]-[#6@@H]-2-[#8]-[#6@@H](-[#6]-[#8])-[#6@H](-[#8])-[#6@H](-[#8][C@@]3([#6]-[#6@@H](-[#8])-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6@@H](-[#8]3)-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])[#6](-[#8])=O)-[#6@@H]-2-[#8])-[#6@H](-[#8]-[#6@@H]-2-[#8]-[#6@@H](-[#6])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H]-2-[#8])-[#6@@H]-1-[#7]-[#6](-[#6])=O
InChI Key: InChIKey=FHFYMJVLHPMDBN-DJRDZJFISA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
E-selectin (Homo sapiens (Human)) | BDBM50214504 (CHEMBL3215420) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for inhibition of HL60 cell adhesion to recombinant Selectin E IgG fusion protein obtained from transfected COS cells | Bioorg Med Chem Lett 6: 509-514 (1996) Article DOI: 10.1016/0960-894X(96)00057-1 BindingDB Entry DOI: 10.7270/Q27944P1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-selectin (Homo sapiens (Human)) | BDBM50214504 (CHEMBL3215420) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for inhibition of HL60 cell adhesion to recombinant P-selectin-IgG fusion protein obtained from transfected COS cells | Bioorg Med Chem Lett 6: 509-514 (1996) Article DOI: 10.1016/0960-894X(96)00057-1 BindingDB Entry DOI: 10.7270/Q27944P1 | |||||||||||
More data for this Ligand-Target Pair |