BDBM50000778 (nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester::1H-Pyrazolo[3,4-d]pyrimidin-4-ol::2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester::CHEMBL193::cid_4485::nifedipine

SMILES COC([O-])=C1C(C(C(=[OH+])OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O

InChI Key InChIKey=HZAYOBLZTKMKJT-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50000778   

TargetAmyloid-beta A4 precursor protein-binding family A member 1(Rattus norvegicus)
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50000778((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  1.01E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetVoltage-dependent N-type calcium channel subunit alpha-1B(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50000778((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  1.12E+3nMAssay Description:Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCytochrome P450 3A4(Homo sapiens (Human))
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50000778((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  4.70E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPerilipin-5(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50000778((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  7.13E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPotassium voltage-gated channel subfamily A member 5(Homo sapiens (Human))
Bristol-Myers Squibb Co.

Curated by ChEMBL
LigandPNGBDBM50000778((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  6.10E+3nMAssay Description:Inhibition of human Kv1.5 channel expressed in mouse L929 cells by EP voltage clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPerilipin-1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50000778((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  9.62E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay