BDBM50085702 4-(5-Hydroxymethyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide::CHEMBL1147::Hydroxylated derivative (metabolite 1)

SMILES: NS(=O)(=O)c1ccc(cc1)-c1c(CO)onc1-c1ccccc1

InChI Key: InChIKey=UJSFKTUZOASIPA-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 = 50085702   

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 (Homo sapiens (Human))	BDBM50085702 (4-(5-Hydroxymethyl-3-phenyl-isoxazol-4-yl)-benzene...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(CO)onc1-c1ccccc1 Show InChI InChI=1S/C16H14N2O4S/c17-23(20,21)13-8-6-11(7-9-13)15-14(10-19)22-18-16(15)12-4-2-1-3-5-12/h1-9,19H,10H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In Vitro activity of compound against human recombinant Prostaglandin G/H synthase 2				J Med Chem 43: 775-7 (2000) BindingDB Entry DOI: 10.7270/Q2NV9HG1
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50085702 (4-(5-Hydroxymethyl-3-phenyl-isoxazol-4-yl)-benzene...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(CO)onc1-c1ccccc1 Show InChI InChI=1S/C16H14N2O4S/c17-23(20,21)13-8-6-11(7-9-13)15-14(10-19)22-18-16(15)12-4-2-1-3-5-12/h1-9,19H,10H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille 2 Curated by ChEMBL					Assay Description Inhibition of human Prostaglandin G/H synthase 2				J Med Chem 44: 3223-30 (2001) BindingDB Entry DOI: 10.7270/Q2736S4D
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50085702 (4-(5-Hydroxymethyl-3-phenyl-isoxazol-4-yl)-benzene...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(CO)onc1-c1ccccc1 Show InChI InChI=1S/C16H14N2O4S/c17-23(20,21)13-8-6-11(7-9-13)15-14(10-19)22-18-16(15)12-4-2-1-3-5-12/h1-9,19H,10H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In Vitro activity of compound against human recombinant Prostaglandin G/H synthase 2				J Med Chem 43: 775-7 (2000) BindingDB Entry DOI: 10.7270/Q2NV9HG1
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50085702 (4-(5-Hydroxymethyl-3-phenyl-isoxazol-4-yl)-benzene...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(CO)onc1-c1ccccc1 Show InChI InChI=1S/C16H14N2O4S/c17-23(20,21)13-8-6-11(7-9-13)15-14(10-19)22-18-16(15)12-4-2-1-3-5-12/h1-9,19H,10H2,(H2,17,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.12E+6	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In Vitro activity of compound against human recombinant Prostaglandin G/H synthase 1				J Med Chem 43: 775-7 (2000) BindingDB Entry DOI: 10.7270/Q2NV9HG1
					More data for this Ligand-Target Pair