BDBM330485 US9725442, Compound I-284

SMILES: CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(C(C)C(O)=O)c2ccccc12

InChI Key: InChIKey=WAHXZEXJKVTMPO-RWPZGMTISA-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 = 330485   

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))	BDBM330485 (US9725442, Compound I-284) Show SMILES CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(C(C)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C23H27N3O5S/c1-4-31-17-9-11-18(12-10-17)32(29,30)25-13-15(2)21(14-25)26-20-8-6-5-7-19(20)22(24-26)16(3)23(27)28/h5-12,15-16,21H,4,13-14H2,1-3H3,(H,27,28)/t15-,16?,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	55	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))	BDBM330485 (US9725442, Compound I-284) Show SMILES CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(C(C)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C23H27N3O5S/c1-4-31-17-9-11-18(12-10-17)32(29,30)25-13-15(2)21(14-25)26-20-8-6-5-7-19(20)22(24-26)16(3)23(27)28/h5-12,15-16,21H,4,13-14H2,1-3H3,(H,27,28)/t15-,16?,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