null
SMILES: [#6]-[#6@@H]-1-[#8]-[#6@@H](-[#8]-[#6@@H]-2-[#6@H](-[#7]-[#6](-[#6])=O)-[#6@H](-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#16])\[#7]=[#6]-3/[#6]=[#6]\[#6](\[#6](=[#6]-3)-[#6](-[#8])=O)=[#6]-3/c4ccc(-[#8])cc4-[#8]-c4cc(-[#8])ccc-34)-[#8]-[#6@@H](-[#6]-[#8])-[#6@H]-2-[#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](-[#8])-[#6@@H]-1-[#8]
InChI Key: InChIKey=SIXUNBMYBADABL-VPFIKWSQSA-N
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)) | BDBM50214503 (CHEMBL3215418) | 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 | 6.50E+5 | 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)) | BDBM50214503 (CHEMBL3215418) | 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 | 9.00E+5 | 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 |