BDBM50044074 CHEMBL113138::CHEMBL15781::N-{5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)-ylidene]-4-oxo-4,5-dihydro-oxazol-2-yl}-guanidine; compound with methanesulfonic acid
SMILES: CC(C)(C)c1cc(C=C2OC(NC(N)=N)=NC2=O)cc(c1O)C(C)(C)C
InChI Key: InChIKey=FDKQQLIDPCZUFH-UHFFFAOYSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Arachidonate 5-lipoxygenase (Rattus norvegicus) | BDBM50044074![]() (CHEMBL113138 | CHEMBL15781 | N-{5-[1-(3,5-Di-tert-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.20E+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 in intact rat basophilic leukemia cells stimulated with the calciumionophore A-23,187 | J Med Chem 37: 322-8 (1994) BindingDB Entry DOI: 10.7270/Q28C9V9P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50044074![]() (CHEMBL113138 | CHEMBL15781 | N-{5-[1-(3,5-Di-tert-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma | J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase (Homo sapiens (Human)) | BDBM50044074![]() (CHEMBL113138 | CHEMBL15781 | N-{5-[1-(3,5-Di-tert-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description IC50 against recombinant human Prostaglandin G/H synthase 2 | J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50044074![]() (CHEMBL113138 | CHEMBL15781 | N-{5-[1-(3,5-Di-tert-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description IC50 against ovine Prostaglandin G/H synthase 1 | J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse)) | BDBM50044074![]() (CHEMBL113138 | CHEMBL15781 | N-{5-[1-(3,5-Di-tert-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines. | J Med Chem 42: 1151-60 (1999) Article DOI: 10.1021/jm9805081 BindingDB Entry DOI: 10.7270/Q24X56Z3 | |||||||||||
More data for this Ligand-Target Pair |