BDBM50584891 CHEMBL5085823

SMILES [H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(CN1)C2

InChI Key InChIKey=PXJXLYRJAGOTQU-UHFFFAOYSA-N

Data  4 KI  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50584891   

TargetP2Y purinoceptor 14(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50584891(CHEMBL5085823)
Affinity DataIC50: 3.10nMAssay Description:Inhibition of fluorescent antagonist binding to human P2Y14R expressed in CHO cells preincubated for 30 mins followed by 6-amino-9-(2-carboxy-4-((6-(...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetP2Y purinoceptor 14(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50584891(CHEMBL5085823)
Affinity DataIC50: 3.11nMAssay Description:Inhibition of fluorescent antagonist binding to human P2Y14R expressed in CHO cells preincubated for 30 mins followed by 6-amino-9-(2-carboxy-4-((6-(...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetP2Y purinoceptor 14(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50584891(CHEMBL5085823)
Affinity DataIC50: 34nMAssay Description:Inhibition of fluorescent antagonist binding to mouse P2Y14R expressed in HEK293 cells preincubated for 30 mins followed by addition of 6-amino-9-(2-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50584891(CHEMBL5085823)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50584891(CHEMBL5085823)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50584891(CHEMBL5085823)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50584891(CHEMBL5085823)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50584891(CHEMBL5085823)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50584891(CHEMBL5085823)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of hERG channel by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetSigma intracellular receptor 2(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50584891(CHEMBL5085823)
Affinity DataKi:  650nMAssay Description:Inhibition of sigma 2 receptor (unknown origin) assessed as binding constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetSigma intracellular receptor 2(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50584891(CHEMBL5085823)
Affinity DataKi:  710nMAssay Description:Inhibition of sigma 2 receptor (unknown origin) assessed as binding constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetBeta-3 adrenergic receptor(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50584891(CHEMBL5085823)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of adrenergic beta 3 receptor (unknown origin) assessed as binding constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetAlpha-2B adrenergic receptor(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50584891(CHEMBL5085823)
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of adrenergic alpha 2B receptor (unknown origin) assessed as binding constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed