Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM330428'   

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))	BDBM330428 (US9725442, Compound I-21) Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C[C@@H]1Cn1cccn1)n1nc(CC(O)=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C26H28FN5O5S/c1-17(2)37-21-5-7-22(8-6-21)38(35,36)31-16-20(13-19(31)15-30-11-3-10-28-30)32-25-12-18(27)4-9-23(25)24(29-32)14-26(33)34/h3-12,17,19-20H,13-16H2,1-2H3,(H,33,34)/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	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))	BDBM330428 (US9725442, Compound I-21) Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C[C@@H]1Cn1cccn1)n1nc(CC(O)=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C26H28FN5O5S/c1-17(2)37-21-5-7-22(8-6-21)38(35,36)31-16-20(13-19(31)15-30-11-3-10-28-30)32-25-12-18(27)4-9-23(25)24(29-32)14-26(33)34/h3-12,17,19-20H,13-16H2,1-2H3,(H,33,34)/t19-,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