BDBM330427 US9725442, Compound I-19

SMILES: CO\N=C\[C@H]1C[C@H](CN1S(=O)(=O)c1ccc(OC(C)C)cc1)n1nc(CC(O)=O)c2ccc(F)cc12

InChI Key: InChIKey=VOJCWXHSTKSNOD-LCMWDOMCSA-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 = 330427   

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))	BDBM330427 (US9725442, Compound I-19) Show SMILES CO\N=C\[C@H]1C[C@H](CN1S(=O)(=O)c1ccc(OC(C)C)cc1)n1nc(CC(O)=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C24H27FN4O6S/c1-15(2)35-19-5-7-20(8-6-19)36(32,33)28-14-18(11-17(28)13-26-34-3)29-23-10-16(25)4-9-21(23)22(27-29)12-24(30)31/h4-10,13,15,17-18H,11-12,14H2,1-3H3,(H,30,31)/b26-13+/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	62	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))	BDBM330427 (US9725442, Compound I-19) Show SMILES CO\N=C\[C@H]1C[C@H](CN1S(=O)(=O)c1ccc(OC(C)C)cc1)n1nc(CC(O)=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C24H27FN4O6S/c1-15(2)35-19-5-7-20(8-6-19)36(32,33)28-14-18(11-17(28)13-26-34-3)29-23-10-16(25)4-9-21(23)22(27-29)12-24(30)31/h4-10,13,15,17-18H,11-12,14H2,1-3H3,(H,30,31)/b26-13+/t17-,18-/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