BDBM50525017 CHEMBL4462117

SMILES: [H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(COC[C@H]3O[C@@H]4O[C@]5([H])[C@@H](COC)O[C@H](O[C@]6([H])[C@@H](COC)O[C@H](O[C@]7([H])[C@@H](COC)O[C@H](O[C@]8([H])[C@@H](COC)O[C@]([H])(O[C@@H]9[C@@H](COC)O[C@H](O[C@]%10([H])[C@@H](COC)O[C@]([H])(O[C@H]3[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]%10OC)[C@H](OC)[C@H]9OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O

InChI Key: InChIKey=OBNMSNMQUVWJKQ-SOZWFYNMSA-N

Data: 1 KI  1 IC50

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 = 50525017   

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
Alpha-mannosidase (Canavalia ensiformis)	BDBM50525017 (CHEMBL4462117) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(COC[C@H]3O[C@@H]4O[C@]5([H])[C@@H](COC)O[C@H](O[C@]6([H])[C@@H](COC)O[C@H](O[C@]7([H])[C@@H](COC)O[C@H](O[C@]8([H])[C@@H](COC)O[C@]([H])(O[C@@H]9[C@@H](COC)O[C@H](O[C@]%10([H])[C@@H](COC)O[C@]([H])(O[C@H]3[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]%10OC)[C@H](OC)[C@H]9OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C78H135N5O40/c1-88-30-39-49-56(94-7)64(102-15)72(111-39)119-51-41(32-90-3)113-74(66(104-17)58(51)96-9)121-53-43(34-92-5)115-76(68(106-19)60(53)98-11)123-55-45(36-108-28-37-27-82(81-80-37)26-24-22-21-23-25-79-70-48(86)47(85)46(84)38-29-109-78(87)83(38)70)116-77(69(107-20)62(55)100-13)122-54-44(35-93-6)114-75(67(105-18)61(54)99-12)120-52-42(33-91-4)112-73(65(103-16)59(52)97-10)118-50-40(31-89-2)110-71(117-49)63(101-14)57(50)95-8/h27,38-77,79,84-86H,21-26,28-36H2,1-20H3/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49-,50-,51-,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153
					More data for this Ligand-Target Pair
Lysosomal alpha-mannosidase (Homo sapiens (Human))	BDBM50525017 (CHEMBL4462117) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(COC[C@H]3O[C@@H]4O[C@]5([H])[C@@H](COC)O[C@H](O[C@]6([H])[C@@H](COC)O[C@H](O[C@]7([H])[C@@H](COC)O[C@H](O[C@]8([H])[C@@H](COC)O[C@]([H])(O[C@@H]9[C@@H](COC)O[C@H](O[C@]%10([H])[C@@H](COC)O[C@]([H])(O[C@H]3[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]%10OC)[C@H](OC)[C@H]9OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C78H135N5O40/c1-88-30-39-49-56(94-7)64(102-15)72(111-39)119-51-41(32-90-3)113-74(66(104-17)58(51)96-9)121-53-43(34-92-5)115-76(68(106-19)60(53)98-11)123-55-45(36-108-28-37-27-82(81-80-37)26-24-22-21-23-25-79-70-48(86)47(85)46(84)38-29-109-78(87)83(38)70)116-77(69(107-20)62(55)100-13)122-54-44(35-93-6)114-75(67(105-18)61(54)99-12)120-52-42(33-91-4)112-73(65(103-16)59(52)97-10)118-50-40(31-89-2)110-71(117-49)63(101-14)57(50)95-8/h27,38-77,79,84-86H,21-26,28-36H2,1-20H3/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49-,50-,51-,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-,77-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sevilla Curated by ChEMBL					Assay Description Inhibition of Lysosomal alpha-mannosidase in wild-type human fibroblast cell lysates using 4-methylumbelliferone alpha-D-mannopyranoside as a reporte...				J Med Chem 62: 5832-5843 (2019) Article DOI: 10.1021/acs.jmedchem.9b00153
					More data for this Ligand-Target Pair