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BDBM50101329 CHEMBL3326391

SMILES: [H][C@@]12C[C@]1(N)CC[C@@H]2C(O)=O

InChI Key: InChIKey=YFGNHEYEOLSERH-KZLJYQGOSA-N

Data: 4 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 4 hits for monomerid = 50101329   
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
Betaine transporter


(Homo sapiens)
BDBM50101329
PNG
(CHEMBL3326391)
Show SMILES N[C@]12C[C@H]1[C@H](CC2)C(O)=O
Show InChI InChI=1S/C7H11NO2/c8-7-2-1-4(6(9)10)5(7)3-7/h4-5H,1-3,8H2,(H,9,10)/t4-,5-,7+/m0/s1
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PubMed
n/an/a 590n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


ACS Med Chem Lett 5: 889-93 (2014)


Article DOI: 10.1021/ml500134k
BindingDB Entry DOI: 10.7270/Q2WH2RS1
More data for this
Ligand-Target Pair
GABA transporter 3


(Homo sapiens)
BDBM50101329
PNG
(CHEMBL3326391)
Show SMILES N[C@]12C[C@H]1[C@H](CC2)C(O)=O
Show InChI InChI=1S/C7H11NO2/c8-7-2-1-4(6(9)10)5(7)3-7/h4-5H,1-3,8H2,(H,9,10)/t4-,5-,7+/m0/s1
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GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/a 7.63E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human GAT3 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


ACS Med Chem Lett 5: 889-93 (2014)


Article DOI: 10.1021/ml500134k
BindingDB Entry DOI: 10.7270/Q2WH2RS1
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens)
BDBM50101329
PNG
(CHEMBL3326391)
Show SMILES N[C@]12C[C@H]1[C@H](CC2)C(O)=O
Show InChI InChI=1S/C7H11NO2/c8-7-2-1-4(6(9)10)5(7)3-7/h4-5H,1-3,8H2,(H,9,10)/t4-,5-,7+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human GAT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


ACS Med Chem Lett 5: 889-93 (2014)


Article DOI: 10.1021/ml500134k
BindingDB Entry DOI: 10.7270/Q2WH2RS1
More data for this
Ligand-Target Pair
GABA transporter 2


(Homo sapiens)
BDBM50101329
PNG
(CHEMBL3326391)
Show SMILES N[C@]12C[C@H]1[C@H](CC2)C(O)=O
Show InChI InChI=1S/C7H11NO2/c8-7-2-1-4(6(9)10)5(7)3-7/h4-5H,1-3,8H2,(H,9,10)/t4-,5-,7+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human GAT2 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis


ACS Med Chem Lett 5: 889-93 (2014)


Article DOI: 10.1021/ml500134k
BindingDB Entry DOI: 10.7270/Q2WH2RS1
More data for this
Ligand-Target Pair