BDBM50344738 (S)-2-chloro-5-(4-(2-hydroxy-3-methoxypropyl)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)-N-((1-hydroxycycloheptyl)methyl)benzamide::CHEMBL1779512

SMILES COC[C@@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O

InChI Key InChIKey=FUCKCIVGBCBZNP-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 50344738   

TargetP2X purinoceptor 7(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344738((S)-2-chloro-5-(4-(2-hydroxy-3-methoxypropyl)-3,5-...)
Affinity DataIC50: 0.800nMAssay Description:Antagonist activity at P2X7 receptor in human LPS-stimulated monocytes assessed as inhibition of ATP-induced IL1-beta release by ELISA in presence of...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344738((S)-2-chloro-5-(4-(2-hydroxy-3-methoxypropyl)-3,5-...)
Affinity DataIC50: 1.40nMAssay Description:Antagonist activity at P2X7 receptor in human LPS-stimulated monocytes assessed as inhibition of ATP-induced IL1-beta release by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344738((S)-2-chloro-5-(4-(2-hydroxy-3-methoxypropyl)-3,5-...)
Affinity DataIC50: 4nMAssay Description:Antagonist activity at P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced YOPRO-1 uptakeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344738((S)-2-chloro-5-(4-(2-hydroxy-3-methoxypropyl)-3,5-...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344738((S)-2-chloro-5-(4-(2-hydroxy-3-methoxypropyl)-3,5-...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344738((S)-2-chloro-5-(4-(2-hydroxy-3-methoxypropyl)-3,5-...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344738((S)-2-chloro-5-(4-(2-hydroxy-3-methoxypropyl)-3,5-...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50344738((S)-2-chloro-5-(4-(2-hydroxy-3-methoxypropyl)-3,5-...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed