Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hematopoietic prostaglandin D synthase' and Ligand = 'BDBM50526538'   

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))	BDBM50526538 (CHEMBL4520607) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@@H]1C[C@H](O)C1 |r,wU:15.16,17.19,(25.43,-7.2,;26.76,-7.98,;28.1,-7.21,;28.1,-5.66,;29.43,-4.89,;30.76,-5.66,;32.09,-4.88,;33.42,-5.64,;33.43,-7.19,;32.1,-7.97,;30.76,-7.2,;29.43,-7.98,;34.75,-4.86,;34.74,-3.32,;36.09,-5.62,;37.42,-4.84,;38.91,-5.23,;39.3,-3.74,;40.62,-2.96,;37.81,-3.36,)| Show InChI InChI=1S/C15H16N2O3/c1-20-13-3-2-9-4-10(8-16-14(9)7-13)15(19)17-11-5-12(18)6-11/h2-4,7-8,11-12,18H,5-6H2,1H3,(H,17,19)/t11-,12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	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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