BDBM50002604 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-(tetrahydro-furan-2-ylmethyl) ester 5-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl) ester::CHEMBL433325

SMILES: CC1=NC(C)=C(C(C1=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1[N+]([O-])=O)C(=[OH+])OCC1CCCO1

InChI Key: InChIKey=NLOYMUVIARICHF-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50002604   

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)	BDBM50002604 (2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES CC1=NC(C)=C(C(C1=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1[N+]([O-])=O)C(=[OH+])OCC1CCCO1 |w:8.9,c:4,t:1| Show InChI InChI=1S/C28H27N3O10S/c1-16-23(27(33)40-14-18-8-7-13-39-18)25(19-9-3-5-11-21(19)31(35)36)24(17(2)29-16)28(34)41-15-30-26(32)20-10-4-6-12-22(20)42(30,37)38/h3-6,9-12,18,25,34H,7-8,13-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Alter, S.A. Curated by ChEMBL					Assay Description Blockade of calcium-evoked contractions in depolarized aortic strips				J Med Chem 35: 2407-14 (1992) BindingDB Entry DOI: 10.7270/Q2BV7H7B
					More data for this Ligand-Target Pair