BindingDB PrimarySearch

BDBM50318493 3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate::BAY-E-9736::CHEMBL1428::NIMODIPINE::Nimotop

SMILES: COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C

InChI Key: InChIKey=SVMHYHIZWOJKDL-UHFFFAOYSA-N

Data: 7 KI 1 IC50 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50318493
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Calcium channel (RAT)	BDBM50318493 (3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP K_i Database									Life Sci 30: 2191-202 (1982) Article DOI: 10.1016/0024-3205(82)90293-4 BindingDB Entry DOI: 10.7270/Q25719JV
University of Arizona Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Calcium channel (RAT)	BDBM50318493 (3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP K_i Database									Life Sci 30: 2191-202 (1982) Article DOI: 10.1016/0024-3205(82)90293-4 BindingDB Entry DOI: 10.7270/Q25719JV
University of Arizona Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Calcium channel (RAT)	BDBM50318493 (3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by PDSP K_i Database									J Pharmacol Exp Ther 237: 731-8 (1986) BindingDB Entry DOI: 10.7270/Q2GT5KP4
Johns Hopkins University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Calcium channel (RAT)	BDBM50318493 (3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by PDSP K_i Database									J Pharmacol Exp Ther 237: 731-8 (1986) BindingDB Entry DOI: 10.7270/Q2GT5KP4
Johns Hopkins University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50318493 (3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells				J Med Chem 39: 2980-9 (1996) Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50318493 (3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes				J Med Chem 39: 2980-9 (1996) Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50318493 (3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes				J Med Chem 39: 2980-9 (1996) Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50318493 (3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	390	n/a	n/a	n/a	n/a
City of Hope National Medical Center Curated by ChEMBL					Assay Description Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase re...				Bioorg Med Chem 21: 4266-78 (2013) Article DOI: 10.1016/j.bmc.2013.04.069 BindingDB Entry DOI: 10.7270/Q2J67J9Z
City of Hope National Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50318493 (3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
City of Hope National Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay				Bioorg Med Chem 21: 4266-78 (2013) Article DOI: 10.1016/j.bmc.2013.04.069 BindingDB Entry DOI: 10.7270/Q2J67J9Z
City of Hope National Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Mus musculus)	BDBM50318493 (3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Ferrara University Curated by ChEMBL					Assay Description Agonist activity at mouse TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium influx				J Med Chem 53: 5085-107 (2010) Article DOI: 10.1021/jm100062h BindingDB Entry DOI: 10.7270/Q2416Z02
Ferrara University Curated by ChEMBL					More data for this Ligand-Target Pair