BDBM50306909 4-(4-(1-(4-(methylsulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)-5,6-dihydropyridin-1(2H)-yl)butyl nitrate::CHEMBL601015

SMILES: CS(=O)(=O)c1ccc(cc1)-n1nc(cc1C1=CCN(CCCCO[N+]([O-])=O)CC1)C(F)(F)F

InChI Key: InChIKey=QRCQUEDVIMEIAY-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 = 50306909   

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))	BDBM50306909 (4-(4-(1-(4-(methylsulfonyl)phenyl)-3-(trifluoromet...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1C1=CCN(CCCCO[N+]([O-])=O)CC1)C(F)(F)F |t:17| Show InChI InChI=1S/C20H23F3N4O5S/c1-33(30,31)17-6-4-16(5-7-17)26-18(14-19(24-26)20(21,22)23)15-8-11-25(12-9-15)10-2-3-13-32-27(28)29/h4-8,14H,2-3,9-13H2,1H3	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	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by enzyme immunoassay				Bioorg Med Chem Lett 20: 1324-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50306909 (4-(4-(1-(4-(methylsulfonyl)phenyl)-3-(trifluoromet...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1C1=CCN(CCCCO[N+]([O-])=O)CC1)C(F)(F)F |t:17| Show InChI InChI=1S/C20H23F3N4O5S/c1-33(30,31)17-6-4-16(5-7-17)26-18(14-19(24-26)20(21,22)23)15-8-11-25(12-9-15)10-2-3-13-32-27(28)29/h4-8,14H,2-3,9-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immunoassay				Bioorg Med Chem Lett 20: 1324-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.014 BindingDB Entry DOI: 10.7270/Q2GQ6XVV
					More data for this Ligand-Target Pair