Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM330452'   

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 D2 receptor 2 (Homo sapiens (Human))	BDBM330452 (US9725442, Compound I-117) Show SMILES C[C@@H]1CN(C[C@@H]1n1nc(CC(O)=O)c2ccc(F)cc12)S(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C21H22FN3O4S/c1-13-3-6-16(7-4-13)30(28,29)24-11-14(2)20(12-24)25-19-9-15(22)5-8-17(19)18(23-25)10-21(26)27/h3-9,14,20H,10-12H2,1-2H3,(H,26,27)/t14-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Cell membrane was prepared from CRTH2-expressing K562 cell. The cell membrane (20 μg/well) was mixed with reaction buffer (50 mM Tris/HCl, pH 7....				US Patent US9725442 (2017) BindingDB Entry DOI: 10.7270/Q2668G9D
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM330452 (US9725442, Compound I-117) Show SMILES C[C@@H]1CN(C[C@@H]1n1nc(CC(O)=O)c2ccc(F)cc12)S(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C21H22FN3O4S/c1-13-3-6-16(7-4-13)30(28,29)24-11-14(2)20(12-24)25-19-9-15(22)5-8-17(19)18(23-25)10-21(26)27/h3-9,14,20H,10-12H2,1-2H3,(H,26,27)/t14-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Cell membrane was prepared from CRTH2-expressing K562 cell. The cell membrane (20 μg/well) was mixed with reaction buffer (50 mM Tris/HCl, pH 7....				US Patent US9725442 (2017) BindingDB Entry DOI: 10.7270/Q2668G9D
					More data for this Ligand-Target Pair