BDBM50191273 CHEMBL3908604

SMILES: CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1)C(C)=O

InChI Key: InChIKey=RYXOFWLXQLIRLX-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 = 50191273   

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))	BDBM50191273 (CHEMBL3908604) Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1)C(C)=O |t:4| Show InChI InChI=1S/C21H18N6O4S/c1-13(28)22-21-24-26(14(2)29)20(32-21)18-12-25(16-6-4-3-5-7-16)23-19(18)15-8-10-17(11-9-15)27(30)31/h3-12,20H,1-2H3,(H,22,24,28)	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	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha production from PGH2 by enzyme immunoassay				Eur J Med Chem 120: 170-201 (2016) BindingDB Entry DOI: 10.7270/Q2M32XQK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50191273 (CHEMBL3908604) Show SMILES CC(=O)NC1=NN(C(S1)c1cn(nc1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1)C(C)=O |t:4| Show InChI InChI=1S/C21H18N6O4S/c1-13(28)22-21-24-26(14(2)29)20(32-21)18-12-25(16-6-4-3-5-7-16)23-19(18)15-8-10-17(11-9-15)27(30)31/h3-12,20H,1-2H3,(H,22,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard Curated by ChEMBL					Assay Description Inhibition of recombinant ovine COX1 assessed as reduction in PGF2alpha production from PGH2 by enzyme immunoassay				Eur J Med Chem 120: 170-201 (2016) BindingDB Entry DOI: 10.7270/Q2M32XQK
					More data for this Ligand-Target Pair