BDBM330478 US9725442, Compound I-239

SMILES: CC(C)C1CC1S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(F)cc12

InChI Key: InChIKey=DRYSUTGDUNGKSB-VMQWAOOUSA-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 = 330478   

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))	BDBM330478 (US9725442, Compound I-239) Show SMILES CC(C)C1CC1S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C20H26FN3O4S/c1-11(2)15-7-19(15)29(27,28)23-9-12(3)18(10-23)24-17-6-13(21)4-5-14(17)16(22-24)8-20(25)26/h4-6,11-12,15,18-19H,7-10H2,1-3H3,(H,25,26)/t12-,15?,18+,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.40	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))	BDBM330478 (US9725442, Compound I-239) Show SMILES CC(C)C1CC1S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C20H26FN3O4S/c1-11(2)15-7-19(15)29(27,28)23-9-12(3)18(10-23)24-17-6-13(21)4-5-14(17)16(22-24)8-20(25)26/h4-6,11-12,15,18-19H,7-10H2,1-3H3,(H,25,26)/t12-,15?,18+,19?/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