BDBM50101963 BAY-K-5552::CHEBI:76917::NISOLDIPINE::Nisoldipine::Sular
SMILES: COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C
InChI Key: InChIKey=VKQFCGNPDRICFG-UHFFFAOYSA-N
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 |
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Pregnane X receptor (Homo sapiens (Human)) | BDBM50101963 (BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50101963 (BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor subfamily 1 group I member 2 (Rattus norvegicus) | BDBM50101963 (BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.16E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50101963 (BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis | Drug Metab Dispos 39: 151-9 (2010) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-dependent L-type calcium channel subunit alpha-1C (Cavia porcellus) | BDBM50101963 (BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Curated by ChEMBL | Assay Description Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes | J Appl Toxicol 32: 858-66 (2012) Article DOI: 10.1002/jat.2784 BindingDB Entry DOI: 10.7270/Q2D79D5C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-dependent L-type calcium channel subunit alpha-1C (Cavia porcellus) | BDBM50101963 (BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Curated by ChEMBL | Assay Description Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes | J Appl Toxicol 32: 858-66 (2012) Article DOI: 10.1002/jat.2784 BindingDB Entry DOI: 10.7270/Q2D79D5C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM50101963 (BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 0.1 uM) in MDR1-expressing LLC-PK1 cells | Eur J Pharm Sci 16: 159-65 (2002) Article DOI: 10.1016/s0928-0987(02)00082-9 BindingDB Entry DOI: 10.7270/Q25X2CTJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type I I alpha subunit (Homo sapiens (Human)) | BDBM50101963 (BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea... | J Med Chem 28: 381-8 (1985) BindingDB Entry DOI: 10.7270/Q2Z321T8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50101963 (BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell plasma membrane vesicles assessed as reduction in ATP-dependent [3H]-... | Hepatology 60: 1015-22 (2014) Article DOI: 10.1002/hep.27206 BindingDB Entry DOI: 10.7270/Q2TF00N2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50101963 (BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50101963 (BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50101963 (BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50101963 (BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcium channel (Type L) (Homo sapiens (Human)) | BDBM50101963 (BAY-K-5552 | CHEBI:76917 | NISOLDIPINE | Nisoldipi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Curated by ChEMBL | Assay Description Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Chinese hamster ovary cells heterologically expressing alpha-1C subu... | J Appl Toxicol 32: 858-66 (2012) Article DOI: 10.1002/jat.2784 BindingDB Entry DOI: 10.7270/Q2D79D5C | |||||||||||
More data for this Ligand-Target Pair |