Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50094551'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50094551 (3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.2.0*2...) Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(CC3)c12)-c1ccc(F)cc1 |(21.01,-36.41,;22.48,-35.94,;22.8,-34.43,;24.27,-33.96,;25.41,-35,;25.09,-36.5,;23.63,-36.98,;26.88,-34.53,;28.12,-35.45,;29.38,-34.55,;28.9,-33.08,;29.67,-31.77,;28.93,-30.43,;27.39,-30.42,;26.61,-31.74,;27.93,-30.96,;28.33,-32.53,;27.36,-33.07,;30.84,-35.03,;31.15,-36.54,;32.61,-37.02,;33.76,-36,;35.23,-36.48,;33.44,-34.48,;31.98,-34,)| Show InChI InChI=1S/C22H19F2N/c23-17-9-5-15(6-10-17)21-19-13-1-2-14(4-3-13)20(19)22(25-21)16-7-11-18(24)12-8-16/h5-14,25H,1-4H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Servier Curated by ChEMBL					Assay Description Tested in vitro for inhibition against Prostaglandin G/H synthase 1 in human blood				J Med Chem 43: 4582-93 (2001) BindingDB Entry DOI: 10.7270/Q23B60T1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Mus musculus)	BDBM50094551 (3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.2.0*2...) Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(CC3)c12)-c1ccc(F)cc1 |(21.01,-36.41,;22.48,-35.94,;22.8,-34.43,;24.27,-33.96,;25.41,-35,;25.09,-36.5,;23.63,-36.98,;26.88,-34.53,;28.12,-35.45,;29.38,-34.55,;28.9,-33.08,;29.67,-31.77,;28.93,-30.43,;27.39,-30.42,;26.61,-31.74,;27.93,-30.96,;28.33,-32.53,;27.36,-33.07,;30.84,-35.03,;31.15,-36.54,;32.61,-37.02,;33.76,-36,;35.23,-36.48,;33.44,-34.48,;31.98,-34,)| Show InChI InChI=1S/C22H19F2N/c23-17-9-5-15(6-10-17)21-19-13-1-2-14(4-3-13)20(19)22(25-21)16-7-11-18(24)12-8-16/h5-14,25H,1-4H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Servier Curated by ChEMBL					Assay Description Inhibition against prostaglandin G/H synthase 1 from mouse resident macrophages				J Med Chem 43: 4582-93 (2001) BindingDB Entry DOI: 10.7270/Q23B60T1
					More data for this Ligand-Target Pair