Affinity Data by PDB ID

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PDB code 1NP0

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta-hexosaminidase subunit beta (Hex B) (58/58 = 100%)^† (Homo sapiens (Human))	BDBM50327038 ((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Competitive inhibition of human beta-N-acetyl-D-hexosaminidase-B using 4-Methylumbelliferyl N-acetyl-beta-D-glucosaminide as substrate assessed as re...				ACS Med Chem Lett 4: 527-31 (2013) BindingDB Entry DOI: 10.7270/Q2HX1GMT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-hexosaminidase subunit beta (Hex B) (58/58 = 100%)^† (Homo sapiens (Human))	BDBM50327038 ((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The State University of New Jersey Curated by ChEMBL					Assay Description Inhibition of human beta hexosaminidase				Bioorg Med Chem Lett 18: 2944-7 (2008) Article DOI: 10.1016/j.bmcl.2008.03.067 BindingDB Entry DOI: 10.7270/Q2GH9JVC
The State University of New Jersey Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output