BDBM50134554 CHEMBL3747206

SMILES: NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccco1

InChI Key: InChIKey=IYKCZODWNDOPHB-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 = 50134554   

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))	BDBM50134554 (CHEMBL3747206) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccco1 |c:12| Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)14-5-3-13(4-6-14)18-12-17(19-2-1-11-29-19)25-26(18)15-7-9-16(10-8-15)30(24,27)28/h1-11,18H,12H2,(H2,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50134554 (CHEMBL3747206) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccco1 |c:12| Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)14-5-3-13(4-6-14)18-12-17(19-2-1-11-29-19)25-26(18)15-7-9-16(10-8-15)30(24,27)28/h1-11,18H,12H2,(H2,24,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immuno assay				Bioorg Med Chem Lett 26: 406-12 (2016) BindingDB Entry DOI: 10.7270/Q2J38VFT
					More data for this Ligand-Target Pair