BDBM50525020 CHEMBL4518572

SMILES: [H][C@]12COC(=O)N1[C@H](NCCCCCCCCCNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]2O

InChI Key: InChIKey=ACEPQQMRMFJNFI-ZBRFXRBCSA-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 = 50525020   

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)	BDBM50525020 (CHEMBL4518572) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCCCCNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C21H39N3O7/c1-21(2,3)31-19(28)23-12-10-8-6-4-5-7-9-11-22-18-17(27)16(26)15(25)14-13-30-20(29)24(14)18/h14-18,22,25-27H,4-13H2,1-3H3,(H,23,28)/t14-,15-,16+,17+,18+/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))	BDBM50525020 (CHEMBL4518572) Show SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCCCCNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]2O |r,@:6| Show InChI InChI=1S/C21H39N3O7/c1-21(2,3)31-19(28)23-12-10-8-6-4-5-7-9-11-22-18-17(27)16(26)15(25)14-13-30-20(29)24(14)18/h14-18,22,25-27H,4-13H2,1-3H3,(H,23,28)/t14-,15-,16+,17+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.07E+4	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