BDBM50072816 2,6-Dimethyl-4-[2-(2-nitrooxy-ethoxy)-phenyl]-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester::CHEMBL358157

SMILES: COC([O-])=C1C(C(C(=[OH+])OC)=C(C)N=C1C)c1ccccc1OCCO[N+]([O-])=O

InChI Key: InChIKey=OEMOFQQSFOYXJB-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50072816   

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
Cav1.3/Cav beta3/Cav alpha2delta complex (Rattus norvegicus)	BDBM50072816 (2,6-Dimethyl-4-[2-(2-nitrooxy-ethoxy)-phenyl]-1,4-...) Show SMILES COC([O-])=C1C(C(C(=[OH+])OC)=C(C)N=C1C)c1ccccc1OCCO[N+]([O-])=O |w:2.2,c:13,t:10| Show InChI InChI=1S/C19H22N2O8/c1-11-15(18(22)26-3)17(16(12(2)20-11)19(23)27-4)13-7-5-6-8-14(13)28-9-10-29-21(24)25/h5-8,17,22H,9-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Binding affinity for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates.				J Med Chem 41: 5393-401 (1999) Article DOI: 10.1021/jm9803267 BindingDB Entry DOI: 10.7270/Q2WM1F30
					More data for this Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex (Rattus norvegicus)	BDBM50072816 (2,6-Dimethyl-4-[2-(2-nitrooxy-ethoxy)-phenyl]-1,4-...) Show SMILES COC([O-])=C1C(C(C(=[OH+])OC)=C(C)N=C1C)c1ccccc1OCCO[N+]([O-])=O |w:2.2,c:13,t:10| Show InChI InChI=1S/C19H22N2O8/c1-11-15(18(22)26-3)17(16(12(2)20-11)19(23)27-4)13-7-5-6-8-14(13)28-9-10-29-21(24)25/h5-8,17,22H,9-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibitory concentration for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates.				J Med Chem 41: 5393-401 (1999) Article DOI: 10.1021/jm9803267 BindingDB Entry DOI: 10.7270/Q2WM1F30
					More data for this Ligand-Target Pair