Affinity Data by PDB ID

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PDB code 3THD

Identical Ligands in BindingDB

Found 4 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-Galactosidase (β-Gal)(I51T) (653/654 > 99%)^† (Homo sapiens (Human))	BDBM50163440 ((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O Show InChI	PDB GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.47E+4	-25.8	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
The University of Tokyo					More data for this Ligand-Target Pair				3D Structure (crystal)
beta-Galactosidase (β-Gal)(R201C) (653/654 > 99%)^† (Homo sapiens (Human))	BDBM50163440 ((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O Show InChI	PDB GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.90E+4	-25.6	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
The University of Tokyo					More data for this Ligand-Target Pair				3D Structure (crystal)
beta-Galactosidase (β-Gal) (654/654 = 100%)^† (Homo sapiens (Human))	BDBM50163440 ((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O Show InChI	PDB GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.18E+4	-25.0	n/a	n/a	n/a	n/a	n/a	4.5	37
The University of Tokyo					Assay Description β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...				J Biol Chem 289: 14560-8 (2014) Article DOI: 10.1074/jbc.M113.529529 BindingDB Entry DOI: 10.7270/Q2WH2NW4
The University of Tokyo					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-galactosidase (654/654 = 100%)^† (Homo sapiens (Human))	BDBM50163440 ((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory concentration against human beta-galactosidase				J Med Chem 48: 2036-44 (2005) Article DOI: 10.1021/jm0495881 BindingDB Entry DOI: 10.7270/Q2DF6S0M
					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