BDBM50295844 4-nitro-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylcarbamoyl)benzamide::CHEMBL554821::N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine

SMILES: OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=TXVZHPDFTXBTMX-BZNQNGANSA-N

Data: 2 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 2 hits for monomerid = 50295844   

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))	BDBM50295844 (4-nitro-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hy...) Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C14H17N3O9/c18-5-8-9(19)10(20)11(21)13(26-8)16-14(23)15-12(22)6-1-3-7(4-2-6)17(24)25/h1-4,8-11,13,18-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
University of Debrecen Curated by ChEMBL					Assay Description Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8				Bioorg Med Chem 20: 1801-16 (2012) Article DOI: 10.1016/j.bmc.2011.12.059 BindingDB Entry DOI: 10.7270/Q2SN09DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50295844 (4-nitro-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hy...) Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C14H17N3O9/c18-5-8-9(19)10(20)11(21)13(26-8)16-14(23)15-12(22)6-1-3-7(4-2-6)17(24)25/h1-4,8-11,13,18-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.30E+3	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 b				Bioorg Med Chem 17: 4773-85 (2009) Article DOI: 10.1016/j.bmc.2009.04.036 BindingDB Entry DOI: 10.7270/Q2Q52PPV
					More data for this Ligand-Target Pair				3D Structure (crystal)