BDBM330463 US9725442, Compound I-149

SMILES: CC(C)Oc1ccc(nc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(F)cc12

InChI Key: InChIKey=JPRBOIYDVFGVPX-VLIAUNLRSA-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 = 330463   

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))	BDBM330463 (US9725442, Compound I-149) Show SMILES CC(C)Oc1ccc(nc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C22H25FN4O5S/c1-13(2)32-16-5-7-21(24-10-16)33(30,31)26-11-14(3)20(12-26)27-19-8-15(23)4-6-17(19)18(25-27)9-22(28)29/h4-8,10,13-14,20H,9,11-12H2,1-3H3,(H,28,29)/t14-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.80	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))	BDBM330463 (US9725442, Compound I-149) Show SMILES CC(C)Oc1ccc(nc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C22H25FN4O5S/c1-13(2)32-16-5-7-21(24-10-16)33(30,31)26-11-14(3)20(12-26)27-19-8-15(23)4-6-17(19)18(25-27)9-22(28)29/h4-8,10,13-14,20H,9,11-12H2,1-3H3,(H,28,29)/t14-,20+/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