BDBM222001 3-(4-Bromo-phenyl)-1-(4-methanesulfonyl-phenyl)-5-(3,4,5-trimethoxy-phenyl)-4,5-dihydro-1H-pyrazole (10g)

SMILES: COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1ccc(Br)cc1

InChI Key: InChIKey=KQSQZUXVXNCFTJ-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 = 222001   

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) (Ovis aries (Sheep))	BDBM222001 (3-(4-Bromo-phenyl)-1-(4-methanesulfonyl-phenyl)-5-...) Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1ccc(Br)cc1 |c:15| Show InChI InChI=1S/C25H25BrN2O5S/c1-31-23-13-17(14-24(32-2)25(23)33-3)22-15-21(16-5-7-18(26)8-6-16)27-28(22)19-9-11-20(12-10-19)34(4,29)30/h5-14,22H,15H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2) (Ovis aries (Sheep))	BDBM222001 (3-(4-Bromo-phenyl)-1-(4-methanesulfonyl-phenyl)-5-...) Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1ccc(Br)cc1 |c:15| Show InChI InChI=1S/C25H25BrN2O5S/c1-31-23-13-17(14-24(32-2)25(23)33-3)22-15-21(16-5-7-18(26)8-6-16)27-28(22)19-9-11-20(12-10-19)34(4,29)30/h5-14,22H,15H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University					Assay Description The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...				Bioorg Chem 70: 57-66 (2017) Article DOI: 10.1016/j.bioorg.2016.11.008 BindingDB Entry DOI: 10.7270/Q2WH2NVP
					More data for this Ligand-Target Pair