BDBM50218964 CHEMBL44223

SMILES: CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=RKPRFFPVPAKVRJ-UHFFFAOYSA-N

Data: 7 IC50

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 7 hits for monomerid = 50218964   

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
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus)	BDBM50218964 (CHEMBL44223) Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1)S(C)(=O)=O |c:4| Show InChI InChI=1S/C19H16F2O4S/c1-19(2)18(22)16(12-8-13(20)10-14(21)9-12)17(25-19)11-4-6-15(7-5-11)26(3,23)24/h4-10H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific R&D Center Curated by ChEMBL					Assay Description Inhibitory concentration against prostaglandin G/H synthase 1 in mouse peritoneal macrophages				Bioorg Med Chem Lett 14: 1757-60 (2004) BindingDB Entry DOI: 10.7270/Q2ZK5JVW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus (Mouse))	BDBM50218964 (CHEMBL44223) Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1)S(C)(=O)=O |c:4| Show InChI InChI=1S/C19H16F2O4S/c1-19(2)18(22)16(12-8-13(20)10-14(21)9-12)17(25-19)11-4-6-15(7-5-11)26(3,23)24/h4-10H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52.9	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific R&D Center Curated by ChEMBL					Assay Description Inhibitory concentration against prostaglandin G/H synthase 2 in mouse peritoneal macrophages				Bioorg Med Chem Lett 14: 1757-60 (2004) BindingDB Entry DOI: 10.7270/Q2ZK5JVW
					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50218964 (CHEMBL44223) Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1)S(C)(=O)=O |c:4| Show InChI InChI=1S/C19H16F2O4S/c1-19(2)18(22)16(12-8-13(20)10-14(21)9-12)17(25-19)11-4-6-15(7-5-11)26(3,23)24/h4-10H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	79.3	n/a	n/a	n/a	n/a	n/a	n/a
Pacific Corporation R&D Center Curated by ChEMBL					Assay Description Ability to inhibit Prostaglandin G/H synthase 2 by using freshly harvested mouse peritoneal macrophages				Bioorg Med Chem Lett 11: 165-8 (2001) BindingDB Entry DOI: 10.7270/Q2Z03BB2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus (Mouse))	BDBM50218964 (CHEMBL44223) Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1)S(C)(=O)=O |c:4| Show InChI InChI=1S/C19H16F2O4S/c1-19(2)18(22)16(12-8-13(20)10-14(21)9-12)17(25-19)11-4-6-15(7-5-11)26(3,23)24/h4-10H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard Curated by ChEMBL					Assay Description Inhibition of mouse COX-2 in LPS-induced mouse peritoneal macrophage assessed as reduction in PGE2 release incubated for 2 hrs by ELISA				Eur J Med Chem 171: 66-92 (2019) Article DOI: 10.1016/j.ejmech.2019.03.021
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus (Mouse))	BDBM50218964 (CHEMBL44223) Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1)S(C)(=O)=O |c:4| Show InChI InChI=1S/C19H16F2O4S/c1-19(2)18(22)16(12-8-13(20)10-14(21)9-12)17(25-19)11-4-6-15(7-5-11)26(3,23)24/h4-10H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific R&D Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method				J Med Chem 47: 792-804 (2004) Article DOI: 10.1021/jm020545z BindingDB Entry DOI: 10.7270/Q2QZ2DPG
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus)	BDBM50218964 (CHEMBL44223) Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1)S(C)(=O)=O |c:4| Show InChI InChI=1S/C19H16F2O4S/c1-19(2)18(22)16(12-8-13(20)10-14(21)9-12)17(25-19)11-4-6-15(7-5-11)26(3,23)24/h4-10H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific R&D Center Curated by ChEMBL					Assay Description In vitro inhibitory activity against prostaglandin G/H synthase 1 using mouse peritoneal macrophage method				J Med Chem 47: 792-804 (2004) Article DOI: 10.1021/jm020545z BindingDB Entry DOI: 10.7270/Q2QZ2DPG
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus)	BDBM50218964 (CHEMBL44223) Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1)S(C)(=O)=O |c:4| Show InChI InChI=1S/C19H16F2O4S/c1-19(2)18(22)16(12-8-13(20)10-14(21)9-12)17(25-19)11-4-6-15(7-5-11)26(3,23)24/h4-10H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pacific Corporation R&D Center Curated by ChEMBL					Assay Description Ability to inhibit Prostaglandin G/H synthase 1 by using freshly harvested mouse peritoneal macrophages				Bioorg Med Chem Lett 11: 165-8 (2001) BindingDB Entry DOI: 10.7270/Q2Z03BB2
					More data for this Ligand-Target Pair