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: 4 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50080153   

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
Voltage-gated calcium channel alpha2/delta subunit 1 (Mus musculus)	BDBM50080153 ((1-Aminomethyl-cyclohexyl)-acetic acid | 2-(1-(ami...) Show SMILES NCC1(CC(O)=O)CCCCC1 Show InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)	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...) Show SMILES NCC1(CC(O)=O)CCCCC1 Show InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)	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...) Show SMILES NCC1(CC(O)=O)CCCCC1 Show InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)	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...) Show SMILES NCC1(CC(O)=O)CCCCC1 Show InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)	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...) Show SMILES NCC1(CC(O)=O)CCCCC1 Show InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)	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...) Show SMILES NCC1(CC(O)=O)CCCCC1 Show InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)	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