BDBM50386284 CHEMBL2041076

SMILES: CCCC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)[nH]c1=O

InChI Key: InChIKey=XHEMRIMZCOFGEX-YGEZULPYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50386284   

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))	BDBM50386284 (CHEMBL2041076) Show SMILES CCCC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)[nH]c1=O Show InChI InChI=1S/C15H20N2O7/c1-2-3-4-5-8-6-17(15(23)16-13(8)22)14-12(21)11(20)10(19)9(7-18)24-14/h6,9-12,14,18-21H,2-3,7H2,1H3,(H,16,22,23)/t9-,10-,11+,12-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.03E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Competitive inhibition of rabbit skeletal muscle glycogen phosphorylase b using Glc-1-P as substrate				Eur J Med Chem 54: 740-9 (2012) Article DOI: 10.1016/j.ejmech.2012.06.029 BindingDB Entry DOI: 10.7270/Q2VX0HKH
					More data for this Ligand-Target Pair				3D Structure (crystal)