BDBM189379 5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate::Felodipine

SMILES: CCOC(=O)C1=C(NC(=C([C@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C

InChI Key: InChIKey=RZTAMFZIAATZDJ-UHFFFAOYSA-N

Data: 5 IC50  1 Kd  4 EC50  1 ITC

PDB links: 1 PDB ID matches this monomer.

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 10 hits for monomerid = 189379   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aurora kinase B (Human)	BDBM189379 (5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	1.14E+3	n/a	n/a	n/a	8.0	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM189379 (5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Human)	BDBM189379 (5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Human)	BDBM189379 (5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Human)	BDBM189379 (5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Human)	BDBM189379 (5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Human)	BDBM189379 (5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Human)	BDBM189379 (5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Rat)	BDBM189379 (5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.34E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha (Human)	BDBM189379 (5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 189379

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Serine/threonine-protein kinase Aurora-B (Human)	BDBM189379 (5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-di...)	GoogleScholar			-8.60	5.45	-3.10	6.31	8	25
TBA					Details of this binding reaction