BDBM50241049 CHEMBL463763::Triptolide, 1::triptolide

SMILES CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C

InChI Key InChIKey=DFBIRQPKNDILPW-UHFFFAOYSA-N

Data  1 KI  7 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50241049   

TargetdCTP pyrophosphatase 1(Human)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50241049(CHEMBL463763 | Triptolide, 1 | triptolide)
Affinity DataIC50: 3.09E+4nMAssay Description:Inhibition of human recombinant DCTPP1 expressed in Escherichia coli BL21 Star (DE3) using dCTP as substrate by PPiLight assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProteinase-activated receptor 2(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50241049(CHEMBL463763 | Triptolide, 1 | triptolide)
Affinity DataIC50: 23nMAssay Description:Antagonist activity at human PAR2 expressed in human A549 cells coexpressing TACR1 assessed as inhibition of substance P-induced IL-8 production by E...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetProteinase-activated receptor 2(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50241049(CHEMBL463763 | Triptolide, 1 | triptolide)
Affinity DataIC50: 14nMAssay Description:Antagonist activity at human PAR2 expressed in human A549 cells assessed as inhibition of 2f-LIGRLO-NH2-induced NFkappaB activation by luciferase rep...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50241049(CHEMBL463763 | Triptolide, 1 | triptolide)
Affinity DataIC50: 40nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetdCTP pyrophosphatase 1(Human)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50241049(CHEMBL463763 | Triptolide, 1 | triptolide)
Affinity DataIC50: 3.09E+4nMAssay Description:Inhibition of dCTPase 1 (unknown origin) expressed in Escherichia coli BL21 Star (DE3) using dCTP as substrate by luminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetdCTP pyrophosphatase 1(Human)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50241049(CHEMBL463763 | Triptolide, 1 | triptolide)
Affinity DataIC50: 3.09E+4nMAssay Description:Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetdCTP pyrophosphatase 1(Human)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50241049(CHEMBL463763 | Triptolide, 1 | triptolide)
Affinity DataIC50: 3.09E+4nMAssay Description:Inhibition of human dCTPase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetdCTP pyrophosphatase 1(Human)
Karolinska Institutet

Curated by ChEMBL
LigandPNGBDBM50241049(CHEMBL463763 | Triptolide, 1 | triptolide)
Affinity DataKi:  1.68E+5nM ΔG°:  -5.15kcal/molepH: 7.4 T: 2°CAssay Description:Kinetic enzyme assays were performed in a 384-well, white plates (Nunc) on a Wallac Victor 2 plate reader using human DCTPP1 and triptolide and analo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)