BindingDB logo
myBDB logout

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: 6 IC50

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 = 50164279   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50164279
PNG
((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Show SMILES CC(C)C[C@H](CN)CC(O)=O
Show InChI InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 73n/an/an/an/an/an/a



PGRD Michigan Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from alpha2delta calcium channel in pig brain membrane


Bioorg Med Chem Lett 16: 2329-32 (2006)


Article DOI: 10.1016/j.bmcl.2005.06.090
BindingDB Entry DOI: 10.7270/Q2M32V9C
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha2delta subunit


(Sus scrofa)
BDBM50164279
PNG
((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Show SMILES CC(C)C[C@H](CN)CC(O)=O
Show InChI InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Pfizer Inc

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
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))
BDBM50164279
PNG
((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Show SMILES CC(C)C[C@H](CN)CC(O)=O
Show InChI InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50164279
PNG
((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Show SMILES CC(C)C[C@H](CN)CC(O)=O
Show InChI InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay 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 ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM50164279
PNG
((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Show SMILES CC(C)C[C@H](CN)CC(O)=O
Show InChI InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay 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...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))
BDBM50164279
PNG
((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Show SMILES CC(C)C[C@H](CN)CC(O)=O
Show InChI InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay 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...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair