BDBM50002589 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-methyl ester 5-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl) ester::CHEMBL77615

SMILES: COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccccc1[N+]([O-])=O)=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O

InChI Key: InChIKey=MBKJUJGVUWHKNL-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 = 50002589   

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)	BDBM50002589 (2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridi...) Show SMILES COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccccc1[N+]([O-])=O)=C([O-])OCN1C(=O)c2ccccc2S1(=O)=O |w:21.23,c:4,t:7| Show InChI InChI=1S/C24H21N3O9S/c1-13-19(23(29)35-3)21(15-8-4-6-10-17(15)27(31)32)20(14(2)25-13)24(30)36-12-26-22(28)16-9-5-7-11-18(16)37(26,33)34/h4-11,21,30H,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	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