BDBM330439 US9725442, Compound I-62::US9725442, Compound I-63

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

InChI Key: InChIKey=PYXYKPRIPPTACH-HXOBKFHXSA-N

Data: 3 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 3 hits for monomerid = 330439   

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))	BDBM330439 (US9725442, Compound I-62 | US9725442, Compound I-6...) Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(C)cc12 |r| Show InChI InChI=1S/C24H29N3O5S/c1-15(2)32-18-6-8-19(9-7-18)33(30,31)26-13-17(4)23(14-26)27-22-11-16(3)5-10-20(22)21(25-27)12-24(28)29/h5-11,15,17,23H,12-14H2,1-4H3,(H,28,29)/t17-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.10	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))	BDBM330439 (US9725442, Compound I-62 | US9725442, Compound I-6...) Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(C)cc12 |r| Show InChI InChI=1S/C24H29N3O5S/c1-15(2)32-18-6-8-19(9-7-18)33(30,31)26-13-17(4)23(14-26)27-22-11-16(3)5-10-20(22)21(25-27)12-24(28)29/h5-11,15,17,23H,12-14H2,1-4H3,(H,28,29)/t17-,23+/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
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM330439 (US9725442, Compound I-62 | US9725442, Compound I-6...) Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(C)cc12 |r| Show InChI InChI=1S/C24H29N3O5S/c1-15(2)32-18-6-8-19(9-7-18)33(30,31)26-13-17(4)23(14-26)27-22-11-16(3)5-10-20(22)21(25-27)12-24(28)29/h5-11,15,17,23H,12-14H2,1-4H3,(H,28,29)/t17-,23+/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