BDBM50133435 4-(2-Chloro-phenyl)-1-ethyl-6-methyl-1,4-dihydro-pyridine-2,3,5-tricarboxylic acid 5-isopropyl ester::CHEMBL114950

SMILES: CCN1C(C)=C(C(C(C(O)=O)=C1C(O)=O)c1ccccc1Cl)C(=O)OC(C)C

InChI Key: InChIKey=OIDMNXKQVHXWLV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50133435   

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))	BDBM50133435 (4-(2-Chloro-phenyl)-1-ethyl-6-methyl-1,4-dihydro-p...) Show SMILES CCN1C(C)=C(C(C(C(O)=O)=C1C(O)=O)c1ccccc1Cl)C(=O)OC(C)C |c:4,10| Show InChI InChI=1S/C20H22ClNO6/c1-5-22-11(4)14(20(27)28-10(2)3)15(12-8-6-7-9-13(12)21)16(18(23)24)17(22)19(25)26/h6-10,15H,5H2,1-4H3,(H,23,24)(H,25,26)	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	39	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
Glycogen phosphorylase, muscle form (Oryctolagus cuniculus (rabbit))	BDBM50133435 (4-(2-Chloro-phenyl)-1-ethyl-6-methyl-1,4-dihydro-p...) Show SMILES CCN1C(C)=C(C(C(C(O)=O)=C1C(O)=O)c1ccccc1Cl)C(=O)OC(C)C |c:4,10| Show InChI InChI=1S/C20H22ClNO6/c1-5-22-11(4)14(20(27)28-10(2)3)15(12-8-6-7-9-13(12)21)16(18(23)24)17(22)19(25)26/h6-10,15H,5H2,1-4H3,(H,23,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	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
Muscle glycogen phosphorylase (Homo sapiens (Human))	BDBM50133435 (4-(2-Chloro-phenyl)-1-ethyl-6-methyl-1,4-dihydro-p...) Show SMILES CCN1C(C)=C(C(C(C(O)=O)=C1C(O)=O)c1ccccc1Cl)C(=O)OC(C)C |c:4,10| Show InChI InChI=1S/C20H22ClNO6/c1-5-22-11(4)14(20(27)28-10(2)3)15(12-8-6-7-9-13(12)21)16(18(23)24)17(22)19(25)26/h6-10,15H,5H2,1-4H3,(H,23,24)(H,25,26)	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	138	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