Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM330462'   

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))	BDBM330462 (US9725442, Compound I-148) Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1cc(CC(O)=O)c2cccnc12 |r| Show InChI InChI=1S/C23H27N3O5S/c1-15(2)31-18-6-8-19(9-7-18)32(29,30)25-12-16(3)21(14-25)26-13-17(11-22(27)28)20-5-4-10-24-23(20)26/h4-10,13,15-16,21H,11-12,14H2,1-3H3,(H,27,28)/t16-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.60	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))	BDBM330462 (US9725442, Compound I-148) Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1cc(CC(O)=O)c2cccnc12 |r| Show InChI InChI=1S/C23H27N3O5S/c1-15(2)31-18-6-8-19(9-7-18)32(29,30)25-12-16(3)21(14-25)26-13-17(11-22(27)28)20-5-4-10-24-23(20)26/h4-10,13,15-16,21H,11-12,14H2,1-3H3,(H,27,28)/t16-,21+/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