Affinity Data by PDB ID

Search and Browse
- Target
- Compound
- Special tools
- Citation
- Special Data Sets
  - Host Guest Systems
  - Prot-Lig Validation Sets
- Other Databases
  - PDB 85% 100% Seq ID
  - UniProtKB/Swiss-Prot
  - UniProtKB/TrEMBL
  - PubMed
Download
- All Compounds & Data
- Target Names &
  - Ki IC50 Kd EC50
  - ΔG° ΔH° -TΔS°
Enter Data

PDB code 3DDS

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
Glycogen Phosphorylase (PYGL) (846/846 = 100%)^† (Homo sapiens (human))	BDBM27726 ((2S,3R)-3-(tert-butoxy)-2-[(3-{[(2,4,6-trimethylph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.6	25
GSK					Assay Description An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was t...				Bioorg Med Chem Lett 19: 1177-82 (2009) Article DOI: 10.1016/j.bmcl.2008.12.085 BindingDB Entry DOI: 10.7270/Q22805ZM
GSK					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen Phosphorylase (PYGL) (846/846 = 100%)^† (Homo sapiens (human))	BDBM27726 ((2S,3R)-3-(tert-butoxy)-2-[(3-{[(2,4,6-trimethylph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay				Bioorg Med Chem Lett 19: 981-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.084 BindingDB Entry DOI: 10.7270/Q2319VRH
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen Phosphorylase (PYGL) (846/846 = 100%)^† (Homo sapiens (human))	BDBM27726 ((2S,3R)-3-(tert-butoxy)-2-[(3-{[(2,4,6-trimethylph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis				Bioorg Med Chem Lett 19: 981-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.084 BindingDB Entry DOI: 10.7270/Q2319VRH
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Liver glycogen phosphorylase (802/847 = 95%)^† (Rattus norvegicus)	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.48E+5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory concentration against rat liver glycogen phosphorylase				Bioorg Med Chem Lett 15: 4944-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.026 BindingDB Entry DOI: 10.7270/Q27M08R5
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

Reorder this table by ec50
Reorder this table by ic50
Reorder this table by Kd
Reorder this table by pH
Reorder this table by T
Reorder this table by ΔH°
Reorder this table by -TΔS°
Change energy units to: kcal/mole

Search BindingMOAD for More Affinity Data:

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