BDBM93104 COX inhibitor, 5b

SMILES: O=C1CSC(N1Cc1ccccc1)c1ccccc1

InChI Key: InChIKey=LIDAKPFOOTZNRQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 93104   

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))	BDBM93104 (COX inhibitor, 5b) Show SMILES O=C1CSC(N1Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C16H15NOS/c18-15-12-19-16(14-9-5-2-6-10-14)17(15)11-13-7-3-1-4-8-13/h1-10,16H,11-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University					Assay Description The ability of the test compounds to inhibit ovine COX-1 and COX-2 was determined using chemiluminescent enzyme assays kit according to our previousl...				Med Chem Res 19: 782-793 (2009) BindingDB Entry DOI: 10.7270/Q2T72G2X
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM93104 (COX inhibitor, 5b) Show SMILES O=C1CSC(N1Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C16H15NOS/c18-15-12-19-16(14-9-5-2-6-10-14)17(15)11-13-7-3-1-4-8-13/h1-10,16H,11-12H2	MMDB Reactome pathway B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shahid Beheshti University					Assay Description The ability of the test compounds to inhibit ovine COX-1 and COX-2 was determined using chemiluminescent enzyme assays kit according to our previousl...				Med Chem Res 19: 782-793 (2009) BindingDB Entry DOI: 10.7270/Q2T72G2X
					More data for this Ligand-Target Pair