Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Myelin-associated glycoprotein' and Ligand = 'BDBM50354060'   

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
Myelin-associated glycoprotein (Homo sapiens (Human))	BDBM50354060 (CHEMBL1836339) Show SMILES COC(=O)[C@@H](NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CO)C([O-])=O)[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/C43H70N4O30/c1-13(24(37(64)69-6)44-14(2)51)71-38-27(47-17(5)54)33(31(62)23(73-38)12-70-42(40(65)66)7-18(55)25(45-15(3)52)34(75-42)28(59)20(57)9-48)74-39-32(63)36(30(61)22(11-50)72-39)77-43(41(67)68)8-19(56)26(46-16(4)53)35(76-43)29(60)21(58)10-49/h13,18-36,38-39,48-50,55-63H,7-12H2,1-6H3,(H,44,51)(H,45,52)(H,46,53)(H,47,54)(H,65,66)(H,67,68)/p-2/t13-,18+,19+,20-,21-,22-,23-,24+,25-,26-,27-,28-,29-,30+,31+,32-,33-,34-,35-,36+,38+,39+,42-,43+/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	750	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
Myelin-associated glycoprotein (Homo sapiens (Human))	BDBM50354060 (CHEMBL1836339) Show SMILES COC(=O)[C@@H](NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CO)C([O-])=O)[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/C43H70N4O30/c1-13(24(37(64)69-6)44-14(2)51)71-38-27(47-17(5)54)33(31(62)23(73-38)12-70-42(40(65)66)7-18(55)25(45-15(3)52)34(75-42)28(59)20(57)9-48)74-39-32(63)36(30(61)22(11-50)72-39)77-43(41(67)68)8-19(56)26(46-16(4)53)35(76-43)29(60)21(58)10-49/h13,18-36,38-39,48-50,55-63H,7-12H2,1-6H3,(H,44,51)(H,45,52)(H,46,53)(H,47,54)(H,65,66)(H,67,68)/p-2/t13-,18+,19+,20-,21-,22-,23-,24+,25-,26-,27-,28-,29-,30+,31+,32-,33-,34-,35-,36+,38+,39+,42-,43+/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	1.20E+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