BDBM50507470 CHEMBL4448965

SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1SCCNCCN1C(=O)c2cccc3c(Cl)ccc(C1=O)c23

InChI Key: InChIKey=CKRHLZMDRXHBSI-NYKUHLLHSA-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 = 50507470   

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
Beta-hexosaminidase subunit beta (Hex B) (Homo sapiens (Human))	BDBM50507470 (CHEMBL4448965) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1SCCNCCN1C(=O)c2cccc3c(Cl)ccc(C1=O)c23 |r| Show InChI InChI=1S/C24H28ClN3O7S/c1-12(30)27-19-21(32)20(31)17(11-29)35-24(19)36-10-8-26-7-9-28-22(33)14-4-2-3-13-16(25)6-5-15(18(13)14)23(28)34/h2-6,17,19-21,24,26,29,31-32H,7-11H2,1H3,(H,27,30)/t17-,19-,20-,21-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+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
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase) (Homo sapiens (Human))	BDBM50507470 (CHEMBL4448965) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1SCCNCCN1C(=O)c2cccc3c(Cl)ccc(C1=O)c23 |r| Show InChI InChI=1S/C24H28ClN3O7S/c1-12(30)27-19-21(32)20(31)17(11-29)35-24(19)36-10-8-26-7-9-28-22(33)14-4-2-3-13-16(25)6-5-15(18(13)14)23(28)34/h2-6,17,19-21,24,26,29,31-32H,7-11H2,1H3,(H,27,30)/t17-,19-,20-,21-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+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