Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hematopoietic prostaglandin D synthase' and Ligand = 'BDBM50526539'   

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
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526539 (CHEMBL4584855) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:15.16,wD:18.21,(3.36,-7.89,;4.69,-8.66,;6.02,-7.89,;6.03,-6.35,;7.36,-5.58,;8.69,-6.34,;10.02,-5.57,;11.35,-6.33,;11.36,-7.88,;10.03,-8.65,;8.69,-7.89,;7.36,-8.66,;12.68,-5.55,;12.67,-4.01,;14.02,-6.31,;15.35,-5.53,;15.32,-3.99,;16.66,-3.21,;17.99,-3.98,;18.76,-2.64,;19.53,-3.97,;18,-5.52,;16.68,-6.29,)| Show InChI InChI=1S/C18H22N2O3/c1-18(22)7-5-14(6-8-18)20-17(21)13-9-12-3-4-15(23-2)10-16(12)19-11-13/h3-4,9-11,14,22H,5-8H2,1-2H3,(H,20,21)/t14-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
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