BDBM50354053 CHEMBL1836313

SMILES: COC(=O)[C@@H](NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H]1NC(C)=O

InChI Key: InChIKey=JXGSLCRJPYYSBE-UBMGMYIFSA-M

Data: 1 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50354053   

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
Myelin-associated glycoprotein (Homo sapiens (Human))	BDBM50354053 (CHEMBL1836313) Show SMILES COC(=O)[C@@H](NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H]1NC(C)=O |r| Show InChI InChI=1S/C32H53N3O22/c1-10(18(28(48)51-5)33-11(2)39)52-29-20(35-13(4)41)25(22(45)16(8-37)53-29)55-30-24(47)27(23(46)17(9-38)54-30)57-32(31(49)50)6-14(42)19(34-12(3)40)26(56-32)21(44)15(43)7-36/h10,14-27,29-30,36-38,42-47H,6-9H2,1-5H3,(H,33,39)(H,34,40)(H,35,41)(H,49,50)/p-1/t10-,14+,15-,16-,17-,18+,19-,20-,21-,22+,23+,24-,25-,26-,27+,29+,30+,32+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to wild type MAG at 400 uM by Isothermal titration calorimetry				Bioorg Med Chem Lett 21: 5045-9 (2011) Article DOI: 10.1016/j.bmcl.2011.04.068 BindingDB Entry DOI: 10.7270/Q2WD40ZW
					More data for this Ligand-Target Pair
Myelin-associated glycoprotein (Homo sapiens (Human))	BDBM50354053 (CHEMBL1836313) Show SMILES COC(=O)[C@@H](NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H]1NC(C)=O |r| Show InChI InChI=1S/C32H53N3O22/c1-10(18(28(48)51-5)33-11(2)39)52-29-20(35-13(4)41)25(22(45)16(8-37)53-29)55-30-24(47)27(23(46)17(9-38)54-30)57-32(31(49)50)6-14(42)19(34-12(3)40)26(56-32)21(44)15(43)7-36/h10,14-27,29-30,36-38,42-47H,6-9H2,1-5H3,(H,33,39)(H,34,40)(H,35,41)(H,49,50)/p-1/t10-,14+,15-,16-,17-,18+,19-,20-,21-,22+,23+,24-,25-,26-,27+,29+,30+,32+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MAG -Fc chimera expressed in CHO cells using NeuAc alpha2-3Galbeta1-4GlcNAc-R coupled biotinylated polyacrylamide after 30 mins by ELIS...				Bioorg Med Chem Lett 21: 5045-9 (2011) Article DOI: 10.1016/j.bmcl.2011.04.068 BindingDB Entry DOI: 10.7270/Q2WD40ZW
					More data for this Ligand-Target Pair