BDBM50241049 CHEMBL463763::Triptolide, 1::triptolide
SMILES: CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O
InChI Key: InChIKey=DFBIRQPKNDILPW-CIVMWXNOSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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dCTP pyrophosphatase 1 (DCTPP1) (Homo sapiens (Human)) | BDBM50241049 (CHEMBL463763 | Triptolide, 1 | triptolide) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 1.68E+5 | -5.15 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Yale University | Assay 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... | Chembiochem 12: 1767-73 (2011) Article DOI: 10.1002/cbic.201100007 BindingDB Entry DOI: 10.7270/Q2125R69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 2 (Homo sapiens (Human)) | BDBM50241049 (CHEMBL463763 | Triptolide, 1 | triptolide) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland Curated by ChEMBL | Assay 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... | J Med Chem 56: 7477-97 (2013) Article DOI: 10.1021/jm400638v BindingDB Entry DOI: 10.7270/Q2NC62MG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
dCTP pyrophosphatase 1 (Homo sapiens (Human)) | BDBM50241049 (CHEMBL463763 | Triptolide, 1 | triptolide) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet Curated by ChEMBL | Assay Description Inhibition of human dCTPase 1 | Bioorg Med Chem Lett 27: 3897-3904 (2017) Article DOI: 10.1016/j.bmcl.2017.06.038 BindingDB Entry DOI: 10.7270/Q23N25WK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50241049 (CHEMBL463763 | Triptolide, 1 | triptolide) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of COX2 | J Nat Prod 68: 985-91 (2005) Article DOI: 10.1021/np049655u BindingDB Entry DOI: 10.7270/Q27S7PN5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
dCTP pyrophosphatase 1 (Homo sapiens (Human)) | BDBM50241049 (CHEMBL463763 | Triptolide, 1 | triptolide) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet Curated by ChEMBL | Assay Description Inhibition of dCTPase 1 (unknown origin) expressed in Escherichia coli BL21 Star (DE3) using dCTP as substrate by luminescence assay | J Med Chem 60: 2148-2154 (2017) Article DOI: 10.1021/acs.jmedchem.6b01786 BindingDB Entry DOI: 10.7270/Q2BR8VGZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
dCTP pyrophosphatase 1 (Homo sapiens (Human)) | BDBM50241049 (CHEMBL463763 | Triptolide, 1 | triptolide) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet Curated by ChEMBL | Assay 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 ... | J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
dCTP pyrophosphatase 1 (Homo sapiens (Human)) | BDBM50241049 (CHEMBL463763 | Triptolide, 1 | triptolide) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet Curated by ChEMBL | Assay Description Inhibition of human recombinant DCTPP1 expressed in Escherichia coli BL21 Star (DE3) using dCTP as substrate by PPiLight assay | J Med Chem 59: 1140-8 (2016) BindingDB Entry DOI: 10.7270/Q2959KDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proteinase-activated receptor 2 (Homo sapiens (Human)) | BDBM50241049 (CHEMBL463763 | Triptolide, 1 | triptolide) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland Curated by ChEMBL | Assay Description Antagonist activity at human PAR2 expressed in human A549 cells assessed as inhibition of 2f-LIGRLO-NH2-induced NFkappaB activation by luciferase rep... | J Med Chem 56: 7477-97 (2013) Article DOI: 10.1021/jm400638v BindingDB Entry DOI: 10.7270/Q2NC62MG | |||||||||||
More data for this Ligand-Target Pair |