BDBM330483 US9725442, Compound I-280

SMILES: CCOc1ccc(c(CCCO)c1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccccc12

InChI Key: InChIKey=RUPJTEAQGSMOHI-HXOBKFHXSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 330483   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM330483 (US9725442, Compound I-280) Show SMILES CCOc1ccc(c(CCCO)c1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C25H31N3O6S/c1-3-34-19-10-11-24(18(13-19)7-6-12-29)35(32,33)27-15-17(2)23(16-27)28-22-9-5-4-8-20(22)21(26-28)14-25(30)31/h4-5,8-11,13,17,23,29H,3,6-7,12,14-16H2,1-2H3,(H,30,31)/t17-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.80	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))	BDBM330483 (US9725442, Compound I-280) Show SMILES CCOc1ccc(c(CCCO)c1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C25H31N3O6S/c1-3-34-19-10-11-24(18(13-19)7-6-12-29)35(32,33)27-15-17(2)23(16-27)28-22-9-5-4-8-20(22)21(26-28)14-25(30)31/h4-5,8-11,13,17,23,29H,3,6-7,12,14-16H2,1-2H3,(H,30,31)/t17-,23+/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