BDBM160918 US11014909, Example 8::US9107923, 7::US9107923, 8

SMILES Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c(cccn3)C(F)(F)F

InChI Key InChIKey=AKQXQLUNFKDZBN-UHFFFAOYSA-N

Data  5 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 160918   

TargetD(1A) dopamine receptor(Human)
Ucb Pharma

Curated by ChEMBL
LigandPNGBDBM160918(US9107923, 7 | US9107923, 8 | US11014909, Example ...)
Affinity DataKi:  8.5nMAssay Description:Partial agonist activity at human D1RMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD(1A) dopamine receptor(Human)
Ucb Pharma

Curated by ChEMBL
LigandPNGBDBM160918(US9107923, 7 | US9107923, 8 | US11014909, Example ...)
Affinity DataKi:  8.54nMAssay Description:The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2016
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetD(1A) dopamine receptor(Human)
Ucb Pharma

Curated by ChEMBL
LigandPNGBDBM160918(US9107923, 7 | US9107923, 8 | US11014909, Example ...)
Affinity DataKi:  8.54nMAssay Description:D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/22/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetD(1A) dopamine receptor(Human)
Ucb Pharma

Curated by ChEMBL
LigandPNGBDBM160918(US9107923, 7 | US9107923, 8 | US11014909, Example ...)
Affinity DataKi:  21nMAssay Description:The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2016
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetD(1A) dopamine receptor(Human)
Ucb Pharma

Curated by ChEMBL
LigandPNGBDBM160918(US9107923, 7 | US9107923, 8 | US11014909, Example ...)
Affinity DataKi:  21nMAssay Description:D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/22/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)