Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hematopoietic prostaglandin D synthase' and Ligand = 'BDBM136542'   

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))	BDBM136542 (US8865714, Reference Example 12) Show SMILES CC1C(=Cc2ccccc12)C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1 |c:2| Show InChI InChI=1S/C32H39N5O4/c1-23-28-5-3-2-4-25(28)22-29(23)31(39)35-14-16-37(17-15-35)32(40)33-26-6-8-27(9-7-26)34-12-10-24(11-13-34)30(38)36-18-20-41-21-19-36/h2-9,22-24H,10-21H2,1H3,(H,33,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	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
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