BDBM50336640 (nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester::2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester::Adalat::Adalat CC::Afeditab cr::BAY-A-1040::NIFEDIPINE::Nefidipine::Procardia::Procardia XL::dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

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

InChI Key InChIKey=OSUCQKNXQBPLDG-UHFFFAOYSA-N

Data  19 KI  20 IC50  1 Kd  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 50336640   

LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  0.130nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  0.230nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  0.600nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  1nMAssay Description:Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesiclesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1D(Rattus norvegicus)
Universit£

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  2.06nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  3.5nMAssay Description:Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  173nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  2.89E+3nMAssay Description:Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  2.89E+3nMAssay Description:Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  8.29E+3nMAssay Description:Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  8.29E+3nMAssay Description:Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGlutathione reductase, mitochondrial(Homo sapiens (Human))
Batman University

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  1.74E+4nMAssay Description:Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  1.82E+4nMAssay Description:Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  2.22E+4nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  2.22E+4nMAssay Description:Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKi:  2.44E+5nMAssay Description:Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily A member 1(Mus musculus)
Ferrara University

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataEC50:  400nMAssay Description:Agonist activity at mouse TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium influxMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlutathione reductase, mitochondrial(Homo sapiens (Human))
Batman University

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  2.34E+4nMAssay Description:Inhibition of human erythrocyte Glutathione reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Mus musculus)
The University Of Sydney

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  4.60E+4nMAssay Description:Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 2(Mus musculus)
The University Of Sydney

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  5.01E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by whole cell patch clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  5.01E+4nMAssay Description:Inhibitory concentration against potassium channel HERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  1.13E+5nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  2.80E+5nMAssay Description:Inhibitory concentration against IKr potassium channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1D(Rattus norvegicus)
Universit£

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  2.70nMAssay Description:Inhibitory concentration for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataKd:  0.400nMAssay Description:Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThromboxane-A synthase(Rattus norvegicus)
Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50: >1.00E+4nMAssay Description:In vitro inhibition of thromboxane B2 production in rat whole blood.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Oryctolagus cuniculus)
Alter

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  2.90nMAssay Description:Blockade of calcium-evoked contractions in depolarized aortic stripsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  1.00E+4nMAssay Description:Binding affinity for Cytochrome P450 3A4; Range = 1-10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  5.01E+4nMAssay Description:Inhibition of human Potassium channel HERG expressed in mammalian cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  2.75E+5nMAssay Description:Inhibition of hERG K channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  60nMAssay Description:Inhibition of voltage-gated L-type Ca channel (species unknown)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 7 subunit alpha(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  3.70E+4nMAssay Description:Inhibition of Na channel (species unknown)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of rat Cav1.2 channel in rat mesenteric artery assessed as relaxation of 70 mM K+ induced contractionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1D(Homo sapiens (Human))
Universidad Complutense

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  1.35E+3nMAssay Description:Inhibition of human Cav1.3 channel in human SH-SY5Y cells assessed as 70 mM K+ induced calcium elevation compound treated 15 mins before stimulus by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  5.01E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Oryctolagus cuniculus)
Alter

Curated by ChEMBL
LigandPNGBDBM50336640((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Affinity DataIC50:  1nMAssay Description:Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed