BDBM50513946 CHEMBL4546366

SMILES: [H][C@]12O[C@H](C(F)F)[C@@H](O)C[C@@]1([H])N=C(S2)N(C)C

InChI Key: InChIKey=PGGPTJXWYICMCH-FZGKIIIMSA-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 = 50513946   

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))	BDBM50513946 (CHEMBL4546366) Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)C[C@@]1([H])N=C(S2)N(C)C |r,c:13| Show InChI InChI=1S/C9H14F2N2O2S/c1-13(2)9-12-4-3-5(14)6(7(10)11)15-8(4)16-9/h4-8,14H,3H2,1-2H3/t4-,5+,6+,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090
					More data for this Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B) (Homo sapiens (Human))	BDBM50513946 (CHEMBL4546366) Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)C[C@@]1([H])N=C(S2)N(C)C |r,c:13| Show InChI InChI=1S/C9H14F2N2O2S/c1-13(2)9-12-4-3-5(14)6(7(10)11)15-8(4)16-9/h4-8,14H,3H2,1-2H3/t4-,5+,6+,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of human beta hexosaminidase assessed as inhibitory constant using 4-methylumbelliferyl N-acetyl-beta-D-glucosaminide dihydrate as substra...				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090
					More data for this Ligand-Target Pair