BDBM50386288 CHEMBL2041081

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cl)c(=O)[nH]c1=O

InChI Key: InChIKey=NONSBAHWXCNSII-XSEHCYKFSA-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 = 50386288   

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
Muscle glycogen phosphorylase (Homo sapiens)	BDBM50386288 (CHEMBL2041081) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cl)c(=O)[nH]c1=O Show InChI InChI=1S/C10H13ClN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/t4-,5-,6+,7-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.02E+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 glycogen phosphorylase b				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)
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50386288 (CHEMBL2041081) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cl)c(=O)[nH]c1=O Show InChI InChI=1S/C10H13ClN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/t4-,5-,6+,7-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.02E+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 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)