BDBM50172479 (S)-FLURBIPROFEN::CHEMBL435298
SMILES: C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
InChI Key: InChIKey=SYTBZMRGLBWNTM-JTQLQIEISA-N
Data: 3 IC50
PDB links: 11 PDB IDs match this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 3 hits for monomerid = 50172479 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cyclooxygenase-1 (COX-1)
(Homo sapiens (Human)) | BDBM50172479
((S)-FLURBIPROFEN | CHEMBL435298)Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
| Purchase
CHEBI CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of COX1 in human whole blood |
Bioorg Med Chem Lett 16: 2219-23 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.033 BindingDB Entry DOI: 10.7270/Q2M32VC8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
COX-1
(RAT) | BDBM50172479
((S)-FLURBIPROFEN | CHEMBL435298)Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
| Purchase
CHEBI CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiesi Farmaceutici S.p.A.
Curated by ChEMBL
| Assay Description Concentration required to inhibit cyclooxygenase-1 in rat blood |
J Med Chem 48: 5705-20 (2005)
Article DOI: 10.1021/jm0502541 BindingDB Entry DOI: 10.7270/Q2CC106W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50172479
((S)-FLURBIPROFEN | CHEMBL435298)Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| Purchase
CHEBI CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiesi Farmaceutici S.p.A.
Curated by ChEMBL
| Assay Description Concentration required to inhibit cyclooxygenase-2 in human blood |
J Med Chem 48: 5705-20 (2005)
Article DOI: 10.1021/jm0502541 BindingDB Entry DOI: 10.7270/Q2CC106W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |