BDBM50507471 CHEMBL4540913

SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1SCCCNCCN1C(=O)c2cccc3c(Br)ccc(C1=O)c23

InChI Key: InChIKey=SUKZQVXGZIYFNH-QRBWNZBVSA-N

Data: 2 KI

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 = 50507471   

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
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase) (Homo sapiens (Human))	BDBM50507471 (CHEMBL4540913) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1SCCCNCCN1C(=O)c2cccc3c(Br)ccc(C1=O)c23 |r| Show InChI InChI=1S/C25H30BrN3O7S/c1-13(31)28-20-22(33)21(32)18(12-30)36-25(20)37-11-3-8-27-9-10-29-23(34)15-5-2-4-14-17(26)7-6-16(19(14)15)24(29)35/h2,4-7,18,20-22,25,27,30,32-33H,3,8-12H2,1H3,(H,28,31)/t18-,20-,21-,22-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Agricultural University Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA expressed in Escherichia coli BL21 (DE3) using varying levels of 4-Mu-GlcNAc as substrate preincubated for 10 min...				ACS Med Chem Lett 9: 1241-1246 (2018) Article DOI: 10.1021/acsmedchemlett.8b00406
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B) (Homo sapiens (Human))	BDBM50507471 (CHEMBL4540913) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1SCCCNCCN1C(=O)c2cccc3c(Br)ccc(C1=O)c23 |r| Show InChI InChI=1S/C25H30BrN3O7S/c1-13(31)28-20-22(33)21(32)18(12-30)36-25(20)37-11-3-8-27-9-10-29-23(34)15-5-2-4-14-17(26)7-6-16(19(14)15)24(29)35/h2,4-7,18,20-22,25,27,30,32-33H,3,8-12H2,1H3,(H,28,31)/t18-,20-,21-,22-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Agricultural University Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged HexB expressed in Pichia pastoris using varying levels of 4-Mu-GlcNAc as substrate preincubated for 10 mi...				ACS Med Chem Lett 9: 1241-1246 (2018) Article DOI: 10.1021/acsmedchemlett.8b00406
					More data for this Ligand-Target Pair