BDBM50046910 4-(5-Amino-[1,3,4]thiadiazol-2-yl)-2,6-di-tert-butyl-phenol::CHEMBL417073
SMILES: CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nnc(N)s1
InChI Key: InChIKey=ZCHIJNKLPIPVGQ-UHFFFAOYSA-N
Data: 4 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50046910 (4-(5-Amino-[1,3,4]thiadiazol-2-yl)-2,6-di-tert-but...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description IC50 value against Prostaglandin G/H synthase 1 of human platelet rich plasma | J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Rattus norvegicus) | BDBM50046910 (4-(5-Amino-[1,3,4]thiadiazol-2-yl)-2,6-di-tert-but...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Inhibition of 5-lipoxygenase measured by the reduction of leukotriene B4 (LTB4) in intact basophilic rat leukemia cells | J Med Chem 36: 1090-9 (1993) BindingDB Entry DOI: 10.7270/Q20P10PV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse)) | BDBM50046910 (4-(5-Amino-[1,3,4]thiadiazol-2-yl)-2,6-di-tert-but...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line | J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50046910 (4-(5-Amino-[1,3,4]thiadiazol-2-yl)-2,6-di-tert-but...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Inhibition of recombinant human prostaglandin G/H synthase 2 (COX-2) | J Med Chem 42: 1161-9 (1999) Article DOI: 10.1021/jm980570y BindingDB Entry DOI: 10.7270/Q2154G6N | |||||||||||
More data for this Ligand-Target Pair |