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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Voltage-gated calcium channel alpha2/delta subunit 1 (Mus musculus) | BDBM50080153 ((1-Aminomethyl-cyclohexyl)-acetic acid | 2-(1-(ami...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain | Bioorg Med Chem Lett 16: 1138-41 (2006) Article DOI: 10.1016/j.bmcl.2005.11.108 BindingDB Entry DOI: 10.7270/Q2XS5TXV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50080153 ((1-Aminomethyl-cyclohexyl)-acetic acid | 2-(1-(ami...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-dependent calcium channel alpha2delta subunit (Sus scrofa) | BDBM50080153 ((1-Aminomethyl-cyclohexyl)-acetic acid | 2-(1-(ami...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane | Bioorg Med Chem Lett 16: 2333-6 (2006) Article DOI: 10.1016/j.bmcl.2005.05.016 BindingDB Entry DOI: 10.7270/Q2CV4JJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated calcium channel alpha2/delta subunit 1 (Rattus norvegicus) | BDBM50080153 ((1-Aminomethyl-cyclohexyl)-acetic acid | 2-(1-(ami...) | PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibition of potassium-evoked [3H]norepinephrine release from rat neocortex | Bioorg Med Chem Lett 16: 2333-6 (2006) Article DOI: 10.1016/j.bmcl.2005.05.016 BindingDB Entry DOI: 10.7270/Q2CV4JJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-dependent calcium channel subunit alpha-2/delta-1 (Homo sapiens (Human)) | BDBM50080153 ((1-Aminomethyl-cyclohexyl)-acetic acid | 2-(1-(ami...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane) | Bioorg Med Chem Lett 14: 1913-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.087 BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-dependent calcium channel alpha2delta subunit (Sus scrofa) | BDBM50080153 ((1-Aminomethyl-cyclohexyl)-acetic acid | 2-(1-(ami...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins | Bioorg Med Chem Lett 20: 362-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.089 BindingDB Entry DOI: 10.7270/Q2XD11S7 | |||||||||||
More data for this Ligand-Target Pair |