BDBM50317788 CHEMBL1094989::diethyl 2-butyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

SMILES: CCCCC1=C(C(C(C(=O)OCC)C(C)=N1)c1cccc(c1)[N+]([O-])=O)C(=O)OCC

InChI Key: InChIKey=JNFKJKFQCOKNLJ-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 = 50317788   

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
Voltage-gated L-type calcium channel alpha-1C subunit (Oryctolagus cuniculus)	BDBM50317788 (CHEMBL1094989 | diethyl 2-butyl-6-methyl-4-(3-nitr...) Show SMILES CCCCC1=C(C(C(C(=O)OCC)C(C)=N1)c1cccc(c1)[N+]([O-])=O)C(=O)OCC |c:14,t:4| Show InChI InChI=1S/C22H28N2O6/c1-5-8-12-17-20(22(26)30-7-3)19(15-10-9-11-16(13-15)24(27)28)18(14(4)23-17)21(25)29-6-2/h9-11,13,18-19H,5-8,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...				Bioorg Med Chem 18: 3147-58 (2010) Article DOI: 10.1016/j.bmc.2010.03.038 BindingDB Entry DOI: 10.7270/Q2F47P90
					More data for this Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex (Rattus norvegicus)	BDBM50317788 (CHEMBL1094989 | diethyl 2-butyl-6-methyl-4-(3-nitr...) Show SMILES CCCCC1=C(C(C(C(=O)OCC)C(C)=N1)c1cccc(c1)[N+]([O-])=O)C(=O)OCC |c:14,t:4| Show InChI InChI=1S/C22H28N2O6/c1-5-8-12-17-20(22(26)30-7-3)19(15-10-9-11-16(13-15)24(27)28)18(14(4)23-17)21(25)29-6-2/h9-11,13,18-19H,5-8,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay				Bioorg Med Chem 18: 3147-58 (2010) Article DOI: 10.1016/j.bmc.2010.03.038 BindingDB Entry DOI: 10.7270/Q2F47P90
					More data for this Ligand-Target Pair