BDBM50260472 CHEMBL4061498

SMILES: CN1C=CC(C=C1)C1NC(C)=CN1c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=OPEZMGCSPANPJI-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 = 50260472   

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 (RAT)	BDBM50260472 (CHEMBL4061498) Show SMILES CN1C=CC(C=C1)C1NC(C)=CN1c1ccc(cc1)S(N)(=O)=O |c:2,5,11| Show InChI InChI=1S/C16H20N4O2S/c1-12-11-20(14-3-5-15(6-4-14)23(17,21)22)16(18-12)13-7-9-19(2)10-8-13/h3-11,13,16,18H,1-2H3,(H2,17,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pre...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair
Cyclooxygenase (RAT)	BDBM50260472 (CHEMBL4061498) Show SMILES CN1C=CC(C=C1)C1NC(C)=CN1c1ccc(cc1)S(N)(=O)=O |c:2,5,11| Show InChI InChI=1S/C16H20N4O2S/c1-12-11-20(14-3-5-15(6-4-14)23(17,21)22)16(18-12)13-7-9-19(2)10-8-13/h3-11,13,16,18H,1-2H3,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.103	n/a	n/a	n/a	n/a	n/a	n/a
Chongqing Normal University Curated by ChEMBL					Assay Description Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreat...				Bioorg Med Chem 25: 4887-4893 (2017) Article DOI: 10.1016/j.bmc.2017.07.038 BindingDB Entry DOI: 10.7270/Q2KW5JGN
					More data for this Ligand-Target Pair