BDBM50430005 CHEMBL1234956::FR258900
SMILES: OC(=O)C[C@H](OC(=O)\C=C\c1ccc(O)cc1)[C@@H](OC(=O)\C=C\c1ccc(O)cc1)C(O)=O
InChI Key: InChIKey=VJLMRHSHSNLOGC-NOPZTHQXSA-N
Data: 1 KI 1 IC50
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50430005 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 |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM50430005
(CHEMBL1234956 | FR258900)Show SMILES OC(=O)C[C@H](OC(=O)\C=C\c1ccc(O)cc1)[C@@H](OC(=O)\C=C\c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C23H20O10/c24-16-7-1-14(2-8-16)5-11-20(28)32-18(13-19(26)27)22(23(30)31)33-21(29)12-6-15-3-9-17(25)10-4-15/h1-12,18,22,24-25H,13H2,(H,26,27)(H,30,31)/b11-5+,12-6+/t18-,22+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
| PDB Article PubMed
| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen
Curated by ChEMBL
| Assay Description Inhibition of rabbit muscle glycogen phosphorylase |
Bioorg Med Chem Lett 23: 1789-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.042 BindingDB Entry DOI: 10.7270/Q2XD1316 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glycogen Phosphorylase (PYGL)
(Homo sapiens (Human)) | BDBM50430005
(CHEMBL1234956 | FR258900)Show SMILES OC(=O)C[C@H](OC(=O)\C=C\c1ccc(O)cc1)[C@@H](OC(=O)\C=C\c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C23H20O10/c24-16-7-1-14(2-8-16)5-11-20(28)32-18(13-19(26)27)22(23(30)31)33-21(29)12-6-15-3-9-17(25)10-4-15/h1-12,18,22,24-25H,13H2,(H,26,27)(H,30,31)/b11-5+,12-6+/t18-,22+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen
Curated by ChEMBL
| Assay Description Inhibition of human liver glycogen phosphorylase |
Bioorg Med Chem Lett 23: 1789-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.042 BindingDB Entry DOI: 10.7270/Q2XD1316 |
More data for this Ligand-Target Pair | |