Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM111809'   

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 (Ovis aries (Sheep))	BDBM111809 (2,6-Bis[2-methyl-4(N-ethyl-N-ethylacetonitrile) an...) Show SMILES CCN(CC)C(C#C)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3C)C(C#C)N(CC)CC)C2=O)c(C)c1 Show InChI InChI=1S/C36H44N2O/c1-9-34(37(11-3)12-4)30-20-18-28(26(7)22-30)24-32-16-15-17-33(36(32)39)25-29-19-21-31(23-27(29)8)35(10-2)38(13-5)14-6/h1-2,18-25,34-35H,11-17H2,3-8H3/b32-24+,33-25+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	8.0	37
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia					Assay Description Reaction mixture containing 100 mM Tris-HCl buffer (pH 8) and COX-1 (ovine) or COX-2 (human recombinant) was preincubated for 10 min in a water bath ...				Chem Biol Drug Des 83: 670-81 (2014) Article DOI: 10.1111/cbdd.12280 BindingDB Entry DOI: 10.7270/Q26H4G2V
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