BDBM50382962 CHEMBL2030479

SMILES: OC[C@H]1O[C@@H](NC(=O)NC(=O)c2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=KAFZFGVMCHNQST-ZHZXCYKASA-N

Data: 1 KI  1 IC50

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 = 50382962   

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))	BDBM50382962 (CHEMBL2030479) Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H19N3O7/c20-6-10-11(21)12(22)13(23)15(26-10)19-16(25)18-14(24)9-5-7-3-1-2-4-8(7)17-9/h1-5,10-13,15,17,20-23H,6H2,(H2,18,19,24,25)/t10-,11-,12+,13-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Thessaly Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as inorganic phosphate release				Bioorg Med Chem 22: 4810-25 (2014) Article DOI: 10.1016/j.bmc.2014.06.058 BindingDB Entry DOI: 10.7270/Q2KS6T58
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50382962 (CHEMBL2030479) Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H19N3O7/c20-6-10-11(21)12(22)13(23)15(26-10)19-16(25)18-14(24)9-5-7-3-1-2-4-8(7)17-9/h1-5,10-13,15,17,20-23H,6H2,(H2,18,19,24,25)/t10-,11-,12+,13-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon Curated by ChEMBL					Assay Description Binding affinity to rabbit muscular GPb by NMR binding assay				J Med Chem 55: 1287-95 (2012) Article DOI: 10.1021/jm201439b BindingDB Entry DOI: 10.7270/Q21J9BS9
					More data for this Ligand-Target Pair				3D Structure (crystal)