null

SMILES: COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2cccc(c2)C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=RKIAQDSYNKVHJJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 183302   

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))	BDBM183302 (US9150546, I-471 | US9688643, I-471 | US9718790, I...) Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2cccc(c2)C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C23H22ClF3N4O4/c1-22(2,18(32)35-3)13-31-20(33)29-19(28-17-6-4-5-15(11-17)23(25,26)27)30(21(31)34)12-14-7-9-16(24)10-8-14/h4-11H,12-13H2,1-3H3,(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	37
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 US9150546 (2015) BindingDB Entry DOI: 10.7270/Q2416VV1
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183302 (US9150546, I-471 | US9688643, I-471 | US9718790, I...) Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2cccc(c2)C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C23H22ClF3N4O4/c1-22(2,18(32)35-3)13-31-20(33)29-19(28-17-6-4-5-15(11-17)23(25,26)27)30(21(31)34)12-14-7-9-16(24)10-8-14/h4-11H,12-13H2,1-3H3,(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	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 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183302 (US9150546, I-471 | US9688643, I-471 | US9718790, I...) Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2cccc(c2)C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C23H22ClF3N4O4/c1-22(2,18(32)35-3)13-31-20(33)29-19(28-17-6-4-5-15(11-17)23(25,26)27)30(21(31)34)12-14-7-9-16(24)10-8-14/h4-11H,12-13H2,1-3H3,(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC 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 US9688643 (2017) BindingDB Entry DOI: 10.7270/Q2M32SZ2
					More data for this Ligand-Target Pair