BDBM50152833 CHEMBL3781986

SMILES: CC(=O)c1ccc(NCC(=O)N2N=C(CC2c2ccc(cc2)[N+]([O-])=O)c2ccc(F)cc2)cc1

InChI Key: InChIKey=NBRMDFSUZFIXOQ-SRQDNTBLSA-K

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 = 50152833   

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
Prostaglandin G/H synthase (Cyclooxygenase-2) (Ovis aries (Sheep))	BDBM50152833 (CHEMBL3781986) Show SMILES CC(=O)c1ccc(NCC(=O)N2N=C(CC2c2ccc(cc2)[N+]([O-])=O)c2ccc(F)cc2)cc1 |c:12| Show InChI InChI=1S/C39H50N20O23P4/c40-29-19-33(48-6-44-29)56(10-52-19)1-15(81-85(69,70)76-5-17-23(61)26(64)37(77-17)57-11-53-20-30(41)45-7-49-34(20)57)14(60)2-75-86(71,72)82-28-25(63)16(78-39(28)59-13-55-22-32(43)47-9-51-36(22)59)3-73-83(65)80-27-24(62)18(4-74-84(66,67)68)79-38(27)58-12-54-21-31(42)46-8-50-35(21)58/h6-18,23-28,37-39,60-64,83H,1-5H2,(H,69,70)(H,71,72)(H2,40,44,48)(H2,41,45,49)(H2,42,46,50)(H2,43,47,51)(H2,66,67,68)/p-3/t14-,15+,16-,17-,18-,23-,24-,25-,26-,27-,28-,37-,38-,39-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mansoura Curated by ChEMBL					Assay Description Inhibition of ovine COX-2 using arachidonic acid as substrate assessed as production of PGH2-alpha preincubated for 5 mins followed by addition of su...				Bioorg Med Chem 24: 2032-42 (2016) BindingDB Entry DOI: 10.7270/Q2XK8HFX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50152833 (CHEMBL3781986) Show SMILES CC(=O)c1ccc(NCC(=O)N2N=C(CC2c2ccc(cc2)[N+]([O-])=O)c2ccc(F)cc2)cc1 |c:12| Show InChI InChI=1S/C39H50N20O23P4/c40-29-19-33(48-6-44-29)56(10-52-19)1-15(81-85(69,70)76-5-17-23(61)26(64)37(77-17)57-11-53-20-30(41)45-7-49-34(20)57)14(60)2-75-86(71,72)82-28-25(63)16(78-39(28)59-13-55-22-32(43)47-9-51-36(22)59)3-73-83(65)80-27-24(62)18(4-74-84(66,67)68)79-38(27)58-12-54-21-31(42)46-8-50-35(21)58/h6-18,23-28,37-39,60-64,83H,1-5H2,(H,69,70)(H,71,72)(H2,40,44,48)(H2,41,45,49)(H2,42,46,50)(H2,43,47,51)(H2,66,67,68)/p-3/t14-,15+,16-,17-,18-,23-,24-,25-,26-,27-,28-,37-,38-,39-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Mansoura Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 using arachidonic acid as substrate assessed as production of PGH2-alpha preincubated for 5 mins followed by addition of su...				Bioorg Med Chem 24: 2032-42 (2016) BindingDB Entry DOI: 10.7270/Q2XK8HFX
					More data for this Ligand-Target Pair