BDBM330435 US9725442, Compound I-49

SMILES: C[C@@H]1CN(C[C@@H]1n1nc(CC(O)=O)c2ccc(F)cc12)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=FKCQHELANKXMLU-BLVKFPJESA-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 = 330435   

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))	BDBM330435 (US9725442, Compound I-49) Show SMILES C[C@@H]1CN(C[C@@H]1n1nc(CC(O)=O)c2ccc(F)cc12)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H19ClFN3O4S/c1-12-10-24(30(28,29)15-5-2-13(21)3-6-15)11-19(12)25-18-8-14(22)4-7-16(18)17(23-25)9-20(26)27/h2-8,12,19H,9-11H2,1H3,(H,26,27)/t12-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.590	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))	BDBM330435 (US9725442, Compound I-49) Show SMILES C[C@@H]1CN(C[C@@H]1n1nc(CC(O)=O)c2ccc(F)cc12)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H19ClFN3O4S/c1-12-10-24(30(28,29)15-5-2-13(21)3-6-15)11-19(12)25-18-8-14(22)4-7-16(18)17(23-25)9-20(26)27/h2-8,12,19H,9-11H2,1H3,(H,26,27)/t12-,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