Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hematopoietic prostaglandin D synthase' and Ligand = 'BDBM124941'   

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))	BDBM124941 (US8765750, Reference Example 14) Show SMILES Cc1ccc2nc(NC(=O)N3CCN(CC3)C(=O)c3cccc(F)c3)sc2c1 Show InChI InChI=1S/C20H19FN4O2S/c1-13-5-6-16-17(11-13)28-19(22-16)23-20(27)25-9-7-24(8-10-25)18(26)14-3-2-4-15(21)12-14/h2-6,11-12H,7-10H2,1H3,(H,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	8.0	25
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124941 (US8765750, Reference Example 14) Show SMILES Cc1ccc2nc(NC(=O)N3CCN(CC3)C(=O)c3cccc(F)c3)sc2c1 Show InChI InChI=1S/C20H19FN4O2S/c1-13-5-6-16-17(11-13)28-19(22-16)23-20(27)25-9-7-24(8-10-25)18(26)14-3-2-4-15(21)12-14/h2-6,11-12H,7-10H2,1H3,(H,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair