BDBM271518 US10065941, Compound I-019::US9732060, Compound I-019

SMILES: OC(=O)[C@H]1C[C@@H](C1)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key:

Data: 4 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 4 hits for monomerid = 271518   

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
p2x3 (Homo sapiens (Human))	BDBM271518 (US10065941, Compound I-019 | US9732060, Compound I...) Show SMILES OC(=O)[C@H]1C[C@@H](C1)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O |r,wU:3.2,wD:5.7,(8.28,1.86,;6.94,2.63,;6.94,4.17,;5.61,1.86,;5.21,.37,;3.72,.77,;4.12,2.26,;2.39,,;1.06,.77,;1.06,2.31,;-.28,,;-.28,-1.54,;-1.61,-2.31,;-2.94,-1.54,;-2.94,,;-4.28,.77,;-5.61,,;-6.94,.77,;-6.94,2.31,;-8.28,3.08,;-8.28,4.62,;-6.94,5.39,;-6.94,6.93,;-5.61,4.62,;-5.61,3.08,;-5.61,-1.54,;-4.28,-2.31,;1.06,-2.31,;1.06,-3.85,;2.39,-4.62,;2.39,-6.16,;3.72,-6.93,;5.06,-6.16,;6.39,-6.93,;5.06,-4.62,;3.72,-3.85,;2.39,-1.54,;3.72,-2.31,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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 US10065941 (2018) BindingDB Entry DOI: 10.7270/Q28P62J8
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM271518 (US10065941, Compound I-019 | US9732060, Compound I...) Show SMILES OC(=O)[C@H]1C[C@@H](C1)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O |r,wU:3.2,wD:5.7,(8.28,1.86,;6.94,2.63,;6.94,4.17,;5.61,1.86,;5.21,.37,;3.72,.77,;4.12,2.26,;2.39,,;1.06,.77,;1.06,2.31,;-.28,,;-.28,-1.54,;-1.61,-2.31,;-2.94,-1.54,;-2.94,,;-4.28,.77,;-5.61,,;-6.94,.77,;-6.94,2.31,;-8.28,3.08,;-8.28,4.62,;-6.94,5.39,;-6.94,6.93,;-5.61,4.62,;-5.61,3.08,;-5.61,-1.54,;-4.28,-2.31,;1.06,-2.31,;1.06,-3.85,;2.39,-4.62,;2.39,-6.16,;3.72,-6.93,;5.06,-6.16,;6.39,-6.93,;5.06,-4.62,;3.72,-3.85,;2.39,-1.54,;3.72,-2.31,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	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 US9732060 (2017) BindingDB Entry DOI: 10.7270/Q2ZC8506
					More data for this Ligand-Target Pair
ratp2x3 + rsa (RAT)	BDBM271518 (US10065941, Compound I-019 | US9732060, Compound I...) Show SMILES OC(=O)[C@H]1C[C@@H](C1)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O |r,wU:3.2,wD:5.7,(8.28,1.86,;6.94,2.63,;6.94,4.17,;5.61,1.86,;5.21,.37,;3.72,.77,;4.12,2.26,;2.39,,;1.06,.77,;1.06,2.31,;-.28,,;-.28,-1.54,;-1.61,-2.31,;-2.94,-1.54,;-2.94,,;-4.28,.77,;-5.61,,;-6.94,.77,;-6.94,2.31,;-8.28,3.08,;-8.28,4.62,;-6.94,5.39,;-6.94,6.93,;-5.61,4.62,;-5.61,3.08,;-5.61,-1.54,;-4.28,-2.31,;1.06,-2.31,;1.06,-3.85,;2.39,-4.62,;2.39,-6.16,;3.72,-6.93,;5.06,-6.16,;6.39,-6.93,;5.06,-4.62,;3.72,-3.85,;2.39,-1.54,;3.72,-2.31,)| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The C6BU-1 cells were seeded in a 96-well microtiter plate ...				US Patent US10065941 (2018) BindingDB Entry DOI: 10.7270/Q28P62J8
					More data for this Ligand-Target Pair
p2x3 + hsa (Homo sapiens (Human))	BDBM271518 (US10065941, Compound I-019 | US9732060, Compound I...) Show SMILES OC(=O)[C@H]1C[C@@H](C1)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O |r,wU:3.2,wD:5.7,(8.28,1.86,;6.94,2.63,;6.94,4.17,;5.61,1.86,;5.21,.37,;3.72,.77,;4.12,2.26,;2.39,,;1.06,.77,;1.06,2.31,;-.28,,;-.28,-1.54,;-1.61,-2.31,;-2.94,-1.54,;-2.94,,;-4.28,.77,;-5.61,,;-6.94,.77,;-6.94,2.31,;-8.28,3.08,;-8.28,4.62,;-6.94,5.39,;-6.94,6.93,;-5.61,4.62,;-5.61,3.08,;-5.61,-1.54,;-4.28,-2.31,;1.06,-2.31,;1.06,-3.85,;2.39,-4.62,;2.39,-6.16,;3.72,-6.93,;5.06,-6.16,;6.39,-6.93,;5.06,-4.62,;3.72,-3.85,;2.39,-1.54,;3.72,-2.31,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	68	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 US10065941 (2018) BindingDB Entry DOI: 10.7270/Q28P62J8
					More data for this Ligand-Target Pair