BDBM50034682 (R)-2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-[3-(4,4-diphenyl-piperidin-1-yl)-propyl] ester 5-methyl ester::CHEMBL436150::NIGULDIPINE

SMILES COC(=[OH+])C1=C(C)N=C(C)C([C@@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1

InChI Key InChIKey=OCBZSBUOYIQXSP-UHFFFAOYSA-N

Data  11 KI  1 EC50

  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 12 hits for monomerid = 50034682   

TargetATP-dependent translocase ABCB1(Human)
University of Vienna

Curated by ChEMBL
LigandPNGBDBM50034682(CHEMBL436150 | (R)-2,6-Dimethyl-4-(3-nitro-phenyl)...)
Affinity DataEC50:  60nMAssay Description:Compound was tested for inhibition of daunomycin efflux in the resistant human T-lymphoblast cell line CEM vcr1000.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2012
Entry Details Article
PubMed
TargetAlpha-1A adrenergic receptor(Human)
Synaptic Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50034682(CHEMBL436150 | (R)-2,6-Dimethyl-4-(3-nitro-phenyl)...)
Affinity DataKi:  4.70nMAssay Description:Ability to displace [3H]prazosin from cloned human Alpha-1A adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetAlpha-1B adrenergic receptor(Human)
Synaptic Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50034682(CHEMBL436150 | (R)-2,6-Dimethyl-4-(3-nitro-phenyl)...)
Affinity DataKi:  56nMAssay Description:Ability to displace [3H]prazosin from cloned human Alpha-1B adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetAlpha-1D adrenergic receptor(Human)
Synaptic Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50034682(CHEMBL436150 | (R)-2,6-Dimethyl-4-(3-nitro-phenyl)...)
Affinity DataKi:  170nMAssay Description:Ability to displace [3H]prazosin from cloned human Alpha-1D adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetAlpha-2C adrenergic receptor(Human)
Synaptic Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50034682(CHEMBL436150 | (R)-2,6-Dimethyl-4-(3-nitro-phenyl)...)
Affinity DataKi:  450nMAssay Description:Ability to displace [3H]rauwolscine from cloned human Alpha-2C adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetAlpha-2B adrenergic receptor(Human)
Synaptic Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50034682(CHEMBL436150 | (R)-2,6-Dimethyl-4-(3-nitro-phenyl)...)
Affinity DataKi:  660nMAssay Description:Ability to displace [3H]rauwolscine from cloned human Alpha-2B adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Synaptic Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50034682(CHEMBL436150 | (R)-2,6-Dimethyl-4-(3-nitro-phenyl)...)
Affinity DataKi:  900nMAssay Description:Ability to displace [3H]rauwolscine from cloned human Alpha-2A adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50034682(CHEMBL436150 | (R)-2,6-Dimethyl-4-(3-nitro-phenyl)...)
Affinity DataKi:  1.90E+3nMAssay Description:Displacement of [125 I]AB-MECA from human Adenosine A3 receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50034682(CHEMBL436150 | (R)-2,6-Dimethyl-4-(3-nitro-phenyl)...)
Affinity DataKi:  1.90E+3nMAssay Description:Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50034682(CHEMBL436150 | (R)-2,6-Dimethyl-4-(3-nitro-phenyl)...)
Affinity DataKi:  4.13E+4nMAssay Description:Displacement of [3H]R-PIA from Adenosine A1 receptor of rat brain membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50034682(CHEMBL436150 | (R)-2,6-Dimethyl-4-(3-nitro-phenyl)...)
Affinity DataKi:  4.13E+4nMAssay Description:Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50034682(CHEMBL436150 | (R)-2,6-Dimethyl-4-(3-nitro-phenyl)...)
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [3H]CGS-21680 from Adenosine A2A receptor of rat striatal membrane at 10e-4 uMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed