BDBM330455 US9725442, Compound I-130

SMILES: CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(cc12)C(F)(F)F

InChI Key: InChIKey=FGJLWEQYTWLHNZ-QRQCRPRQSA-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 = 330455   

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))	BDBM330455 (US9725442, Compound I-130) Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(cc12)C(F)(F)F |r| Show InChI InChI=1S/C24H26F3N3O5S/c1-14(2)35-17-5-7-18(8-6-17)36(33,34)29-12-15(3)22(13-29)30-21-10-16(24(25,26)27)4-9-19(21)20(28-30)11-23(31)32/h4-10,14-15,22H,11-13H2,1-3H3,(H,31,32)/t15-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.70	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))	BDBM330455 (US9725442, Compound I-130) Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(cc12)C(F)(F)F |r| Show InChI InChI=1S/C24H26F3N3O5S/c1-14(2)35-17-5-7-18(8-6-17)36(33,34)29-12-15(3)22(13-29)30-21-10-16(24(25,26)27)4-9-19(21)20(28-30)11-23(31)32/h4-10,14-15,22H,11-13H2,1-3H3,(H,31,32)/t15-,22+/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