BDBM50164279 (S)-3-(aminomethyl)-5-methylhexanoic acid::(S)-3-Aminomethyl-5-methyl-hexanoic acid::CHEMBL1059::CI-1008::Lyrica::PD-144723::PREGABALIN

SMILES CC(C)C[C@H](CN)CC(O)=O

InChI Key InChIKey=AYXYPKUFHZROOJ-ZETCQYMHSA-N

Data  4 KI  7 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 11 hits for monomerid = 50164279   

TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Homo sapiens (Human))
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50164279((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Affinity DataKi:  19nMAssay Description:Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Homo sapiens (Human))
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50164279((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Affinity DataKi:  19nMAssay Description:Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent calcium channel subunit alpha-2/delta-2(Homo sapiens (Human))
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50164279((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Affinity DataKi:  99nMAssay Description:Displacement of [3H]-gabapentin from human Cav alpha2delta2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50164279((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-nisoxetine from human NET expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50164279((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50164279((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human NET expressed in HEK293 cells assessed as reduction in ASP+ uptake incubated for 20 mins before ASP+ addition and measured after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50164279((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50164279((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50164279((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Affinity DataIC50:  80nMAssay 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 ArticlePubMed
LigandPNGBDBM50164279((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Affinity DataIC50:  73nMAssay Description:Displacement of [3H]gabapentin from alpha2delta calcium channel in pig brain membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50164279((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed