Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1504.1 BDBM50454863

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Midkine (Homo sapiens (Human))	BDBM50454863 (CHEMBL4206352) Show SMILES COc1ccc(O[C@@H]2O[C@H](COC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](O[C@@H]3O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OC(=O)CCC(C)=O)[C@H]3N3C(=O)c4ccccc4C3=O)[C@H](OCc3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C57H50F17NO23S2/c1-28(76)17-22-38(78)95-42-39(75-45(79)33-15-9-10-16-34(33)46(75)80)48(93-36(27-91-99(82,83)84)41(42)98-100(85,86)87)97-40-35(26-89-37(77)23-24-50(58,59)51(60,61)52(62,63)53(64,65)54(66,67)55(68,69)56(70,71)57(72,73)74)94-49(92-32-20-18-31(88-2)19-21-32)44(96-47(81)30-13-7-4-8-14-30)43(40)90-25-29-11-5-3-6-12-29/h3-16,18-21,35-36,39-44,48-49H,17,22-27H2,1-2H3,(H,82,83,84)(H,85,86,87)/t35-,36-,39-,40-,41-,42-,43+,44-,48+,49-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	396	n/a	n/a	n/a	n/a	n/a	n/a
CSIC and Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of fluorescein labelled heparin-like hexasaccharide probe binding to recombinant human midkine after 5 mins by fluorescence polarization a...				Bioorg Med Chem 26: 1076-1085 (2018) Article DOI: 10.1016/j.bmc.2018.01.022 BindingDB Entry DOI: 10.7270/Q2H41V1T
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