BDBM50080153 (1-Aminomethyl-cyclohexyl)-acetic acid::2-(1-(aminomethyl)cyclohexyl)acetic acid::CHEMBL940::CI-945::GABAPENTIN::GOE-3450::Neurontin::[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID

SMILES NCC1(CC(O)=O)CCCCC1

InChI Key InChIKey=UGJMXCAKCUNAIE-UHFFFAOYSA-N

Data  1 KI  5 IC50

PDB links: 5 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50080153   

TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50080153(CHEMBL940 | [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID...)
Affinity DataIC50: 27nMAssay Description:Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]gabapentin in human brain membrane (A710 membrane)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50080153(CHEMBL940 | [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID...)
Affinity DataIC50: 140nMAssay Description:Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50080153(CHEMBL940 | [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID...)
Affinity DataIC50: 70nMAssay Description:Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50080153(CHEMBL940 | [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID...)
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of potassium-evoked [3H]norepinephrine release from rat neocortexMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50080153(CHEMBL940 | [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Mouse)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50080153(CHEMBL940 | [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID...)
Affinity DataKi:  120nMAssay Description:Displacement of [3H]L-leucine from alpha-2delta containing calcium channel in murine brainMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)