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.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

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/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50172479 ((S)-FLURBIPROFEN | CHEMBL435298) Show SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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 SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL 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 SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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)