BDBM244285 US9550763, Compound I-033

SMILES: CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C(O)=O)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=OCOKRRDUQXLQKT-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 244285   

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
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM244285 (US9550763, Compound I-033) Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C(O)=O)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H20ClFN4O5/c1-2-30-23(32)13-21(31(25(30)35)14-15-6-8-16(26)9-7-15)28-17-10-11-20(18(27)12-17)36-22-5-3-4-19(29-22)24(33)34/h3-13,28H,2,14H2,1H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9550763 (2017) BindingDB Entry DOI: 10.7270/Q2V126TQ
					More data for this Ligand-Target Pair