Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM330476'   

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))	BDBM330476 (US9725442, Compound I-220) Show SMILES CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(cc12)C1=CCCCC1 |r,t:35| Show InChI InChI=1S/C28H33N3O5S/c1-3-36-22-10-12-23(13-11-22)37(34,35)30-17-19(2)27(18-30)31-26-15-21(20-7-5-4-6-8-20)9-14-24(26)25(29-31)16-28(32)33/h7,9-15,19,27H,3-6,8,16-18H2,1-2H3,(H,32,33)/t19-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.10	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))	BDBM330476 (US9725442, Compound I-220) Show SMILES CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(cc12)C1=CCCCC1 |r,t:35| Show InChI InChI=1S/C28H33N3O5S/c1-3-36-22-10-12-23(13-11-22)37(34,35)30-17-19(2)27(18-30)31-26-15-21(20-7-5-4-6-8-20)9-14-24(26)25(29-31)16-28(32)33/h7,9-15,19,27H,3-6,8,16-18H2,1-2H3,(H,32,33)/t19-,27+/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