BDBM183229 US9150546, I-399::US9688643, I-399::US9718790, I-0398

SMILES: COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=NEGZBMXAYHSDHD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 183229   

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))	BDBM183229 (US9150546, I-399 | US9688643, I-399 | US9718790, I...) Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H28Cl2N4O5/c1-15(2)36-20-11-10-18(12-19(20)27)28-22-29-23(33)31(14-25(3,4)21(32)35-5)24(34)30(22)13-16-6-8-17(26)9-7-16/h6-12,15H,13-14H2,1-5H3,(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	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))	BDBM183229 (US9150546, I-399 | US9688643, I-399 | US9718790, I...) Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H28Cl2N4O5/c1-15(2)36-20-11-10-18(12-19(20)27)28-22-29-23(33)31(14-25(3,4)21(32)35-5)24(34)30(22)13-16-6-8-17(26)9-7-16/h6-12,15H,13-14H2,1-5H3,(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM183229 (US9150546, I-399 | US9688643, I-399 | US9718790, I...) Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H28Cl2N4O5/c1-15(2)36-20-11-10-18(12-19(20)27)28-22-29-23(33)31(14-25(3,4)21(32)35-5)24(34)30(22)13-16-6-8-17(26)9-7-16/h6-12,15H,13-14H2,1-5H3,(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	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