Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50463089'   

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))	BDBM50463089 (CHEMBL4242256) Show SMILES Cc1ccc(cc1)-n1nc(COC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1-c1cccc(Cl)c1 Show InChI InChI=1S/C34H25ClN2O6/c1-21-10-12-26(13-11-21)37-28(23-8-5-9-24(35)14-23)15-25(36-37)19-42-33(40)20-41-27-16-29(38)34-30(39)18-31(43-32(34)17-27)22-6-3-2-4-7-22/h2-18,38H,19-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mi...				Bioorg Med Chem 26: 4264-4275 (2018) Article DOI: 10.1016/j.bmc.2018.07.022 BindingDB Entry DOI: 10.7270/Q2ZK5KBK
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