BDBM50518144 CHEMBL4563656

SMILES OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)C1

InChI Key InChIKey=UAJRMCBKPOLEMY-UHFFFAOYSA-N

Data  1 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50518144   

TargetSodium- and chloride-dependent GABA transporter 1(Human)
Ludwig-Maximilians-Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50518144(CHEMBL4563656)
Affinity DataIC50: 1.35E+5nMAssay Description:Inhibition of NO711 binding to human GAT1 expressed in COS cell membranes preincubated for 25 mins by LC-ESI-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetSodium- and chloride-dependent GABA transporter 1(Human)
Ludwig-Maximilians-Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50518144(CHEMBL4563656)
Affinity DataIC50: 1.70E+5nMAssay Description:Inhibition of NO711 binding to human GAT1 expressed in COS cell membranes by LC-ESI-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetSodium- and chloride-dependent GABA transporter 1(Rat)
Ludwig-Maximilians-Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50518144(CHEMBL4563656)
Affinity DataIC50: 8.13E+4nMAssay Description:Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetSodium- and chloride-dependent GABA transporter 1(Rat)
Ludwig-Maximilians-Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50518144(CHEMBL4563656)
Affinity DataKi:  468nMAssay Description:Inhibition of NO711 binding to mouse GAT1 expressed in HEK293 cell membranes assessed as residual binding preincubated for 4 hrs followed by NO711 ad...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed