BDBM50133442 4-(2-Chloro-phenyl)-6-methyl-1-(3-nitro-benzyl)-1,4-dihydro-pyridine-2,3,5-tricarboxylic acid 5-isopropyl ester::CHEMBL423509

SMILES: CC(C)OC(=O)C1=C(C)N(Cc2cccc(c2)[N+]([O-])=O)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O

InChI Key: InChIKey=XJFRTXMMZKGJKN-UHFFFAOYSA-N

Data: 2 IC50

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 = 50133442   

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 (PYGL) (Homo sapiens (Human))	BDBM50133442 (4-(2-Chloro-phenyl)-6-methyl-1-(3-nitro-benzyl)-1,...) Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2cccc(c2)[N+]([O-])=O)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,24| Show InChI InChI=1S/C25H23ClN2O8/c1-13(2)36-25(33)19-14(3)27(12-15-7-6-8-16(11-15)28(34)35)22(24(31)32)21(23(29)30)20(19)17-9-4-5-10-18(17)26/h4-11,13,20H,12H2,1-3H3,(H,29,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)				Bioorg Med Chem Lett 13: 3405-8 (2003) BindingDB Entry DOI: 10.7270/Q2TQ60XP
					More data for this Ligand-Target Pair
Muscle glycogen phosphorylase (Homo sapiens (Human))	BDBM50133442 (4-(2-Chloro-phenyl)-6-methyl-1-(3-nitro-benzyl)-1,...) Show SMILES CC(C)OC(=O)C1=C(C)N(Cc2cccc(c2)[N+]([O-])=O)C(C(O)=O)=C(C1c1ccccc1Cl)C(O)=O |c:6,24| Show InChI InChI=1S/C25H23ClN2O8/c1-13(2)36-25(33)19-14(3)27(12-15-7-6-8-16(11-15)28(34)35)22(24(31)32)21(23(29)30)20(19)17-9-4-5-10-18(17)26/h4-11,13,20H,12H2,1-3H3,(H,29,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)				Bioorg Med Chem Lett 13: 3405-8 (2003) BindingDB Entry DOI: 10.7270/Q2TQ60XP
					More data for this Ligand-Target Pair