BDBM50033277 CHEMBL3357103

SMILES: COc1ccc(cc1)C1=C(C(=O)OC1)c1cccc(F)c1

InChI Key: InChIKey=XLLSSYMPYWALGH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50033277   

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) (Ovis aries (Sheep))	BDBM50033277 (CHEMBL3357103) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1cccc(F)c1 |t:9| Show InChI InChI=1S/C17H13FO3/c1-20-14-7-5-11(6-8-14)15-10-21-17(19)16(15)12-3-2-4-13(18)9-12/h2-9H,10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50033277 (CHEMBL3357103) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1cccc(F)c1 |t:9| Show InChI InChI=1S/C17H13FO3/c1-20-14-7-5-11(6-8-14)15-10-21-17(19)16(15)12-3-2-4-13(18)9-12/h2-9H,10H2,1H3	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of COX-2 in human 1483 cells by cell-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50033277 (CHEMBL3357103) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1cccc(F)c1 |t:9| Show InChI InChI=1S/C17H13FO3/c1-20-14-7-5-11(6-8-14)15-10-21-17(19)16(15)12-3-2-4-13(18)9-12/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of COX-1 in human OVCAR3 cells by cell-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50033277 (CHEMBL3357103) Show SMILES COc1ccc(cc1)C1=C(C(=O)OC1)c1cccc(F)c1 |t:9| Show InChI InChI=1S/C17H13FO3/c1-20-14-7-5-11(6-8-14)15-10-21-17(19)16(15)12-3-2-4-13(18)9-12/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay				ACS Med Chem Lett 5: 1254-8 (2014) Article DOI: 10.1021/ml500344j BindingDB Entry DOI: 10.7270/Q2BK1DZG
					More data for this Ligand-Target Pair