BDBM50103634 CL-287389::FK-235::NILVADIPINE::Nilvadipine::Nivadipine::SK&F-102362
SMILES: COC(=O)C1=C(NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C)C#N
InChI Key: InChIKey=FAIIFDPAEUKBEP-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pregnane X receptor (Homo sapiens (Human)) | BDBM50103634 (CL-287389 | FK-235 | NILVADIPINE | Nilvadipine | N...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.00E+3 | 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 | |||||||||||||
Nuclear receptor subfamily 1 group I member 2 (Rattus norvegicus) | BDBM50103634 (CL-287389 | FK-235 | NILVADIPINE | Nilvadipine | N...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.05E+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)) | BDBM50103634 (CL-287389 | FK-235 | NILVADIPINE | Nilvadipine | N...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.90E+3 | 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 assessed as induction of CYP3A4 after 24 hrs by 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 | |||||||||||||
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM50103634 (CL-287389 | FK-235 | NILVADIPINE | Nilvadipine | N...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80E+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 | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50103634 (CL-287389 | FK-235 | NILVADIPINE | Nilvadipine | N...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 890 | 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 | |||||||||||||
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus) | BDBM50103634 (CL-287389 | FK-235 | NILVADIPINE | Nilvadipine | N...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Suntory Institute for Biomedical Research Curated by ChEMBL | Assay Description Inhibition of [3H]nitrendipine binding to L-type calcium channels of rat cerebral cortex | J Med Chem 32: 2399-406 (1989) BindingDB Entry DOI: 10.7270/Q2GH9M57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50103634 (CL-287389 | FK-235 | NILVADIPINE | Nilvadipine | N...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50103634 (CL-287389 | FK-235 | NILVADIPINE | Nilvadipine | N...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a |
National Institutes of Health Chemical Genomics Center Curated by ChEMBL | Assay Description Activation of PXR in human cryopreserved hepatocytes assessed as induction of CYP3A4 | 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 |