Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50261640'   

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))	BDBM50261640 (CHEMBL4096865) Show SMILES Cc1ccc(NC(=O)c2c(N=Cc3cccnc3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C22H19N5O/c1-15-6-8-17(9-7-15)26-22(28)21-20(25-14-16-4-2-10-24-13-16)18(12-23)19-5-3-11-27(19)21/h2,4,6-10,13-14H,3,5,11H2,1H3,(H,26,28)/b25-14+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair