BDBM50161093 (R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)propoxy)benzonitrile::2-Chloro-6-[((2R)-3-([1,1-dimethyl-2-(2-naphthalenyl)ethyl]-amino)-2-hydroxypropyl)oxy]benzonitrile hydrochloride::2-Chloro-6-[(R)-3-(1,1-dimethyl-2-naphthalen-2-yl-ethylamino)-2-hydroxy-propoxy]-benzonitrile::CHEMBL180672::CHEMBL2112075

SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N

InChI Key InChIKey=PZUJQWHTIRWCID-UHFFFAOYSA-N

Data  24 IC50  1 EC50

PDB links: 4 PDB IDs match this monomer.

  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 25 hits for monomerid = 50161093   

LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 43nMAssay Description:Inhibition of human CaSR expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 3.00E+3nMAssay Description:Binding affinity to human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 45nMAssay Description:Binding affinity to CYP2D6More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 3nMAssay Description:Binding affinity to human parathyroid calcium receptor 1 expressed in HEK293 4.0-7 cells by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 200nMAssay Description:Inhibition of DATMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 200nMAssay Description:Inhibition of NETMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 0.0450nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 0.00300nMAssay Description:Displacement of [3H](2-(2-hydroxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)-4(3H)-pyrimidinone) from human calcium receptor expressed in h...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSodium-dependent serotonin transporter(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 2nMAssay Description:Inhibition of SERTMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 460nMAssay Description:Activity at rat CaSR in CHO cells assessed as inhibition of calcium ion-induced [3H]inositol phosphate accumulationMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 23nMAssay Description:Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 26nMAssay Description:Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSodium-dependent noradrenaline transporter(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 200nMAssay Description:Binding affinity to norepinephrine transporterMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetExtracellular calcium-sensing receptor(Bovine)
Amgen

Curated by ChEMBL
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataEC50:  41nMAssay Description:Inhibition of CaSR in bovine parathyroid cells assessed as increase in PTH levelMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 530nMAssay Description:Inhibition of extracellular calcium-induced inositol triphosphate generation in rat MTC cells expressing calcium-sensing receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 50nMAssay Description:Inhibition of intracellular calcium release in human TT cells containing calcium-sensing receptor by FLIPRMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 43nMAssay Description:Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 43nMAssay Description:Inhibitory concentration against human calcium receptor expressed in HEK 293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 194nMAssay Description:Inhibitory concentration against human Kv11.1 ERG potassium channelMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 4.30nMAssay Description:Inhibition of beta2 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 0.0580nMAssay Description:Antagonist activity at human calcium receptor expressed in HEK293 4.0-7 cells assessed as inhibition of intracellular calcium release by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSodium-dependent serotonin transporter(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 2nMAssay Description:Binding affinity to serotonin transporterMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 200nMAssay Description:Binding affinity to dopamine transporterMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50161093(CHEMBL2112075 | CHEMBL180672 | (R)-2-chloro-6-(2-h...)
Affinity DataIC50: 4.30E+3nMAssay Description:Binding affinity to beta2 adrenoceptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed