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BDBM183293 US9150546, I-462::US9688643, I-462::US9718790, I-0471

SMILES: CCOc1ccc(cc1C)\N=c1/[nH]c(=O)n(CC(C)(C)C(=O)OC)c(=O)n1Cc1ccc(Cl)cc1

InChI Key: InChIKey=JQRLNIOYJHNYAQ-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 = 183293   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183293
PNG
(US9150546, I-462 | US9688643, I-462 | US9718790, I...)
Show SMILES CCOc1ccc(cc1C)\N=c1/[nH]c(=O)n(CC(C)(C)C(=O)OC)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN4O5/c1-6-35-20-12-11-19(13-16(20)2)27-22-28-23(32)30(15-25(3,4)21(31)34-5)24(33)29(22)14-17-7-9-18(26)10-8-17/h7-13H,6,14-15H2,1-5H3,(H,27,28,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4n/an/an/an/a7.537



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))
BDBM183293
PNG
(US9150546, I-462 | US9688643, I-462 | US9718790, I...)
Show SMILES CCOc1ccc(cc1C)\N=c1/[nH]c(=O)n(CC(C)(C)C(=O)OC)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN4O5/c1-6-35-20-12-11-19(13-16(20)2)27-22-28-23(32)30(15-25(3,4)21(31)34-5)24(33)29(22)14-17-7-9-18(26)10-8-17/h7-13H,6,14-15H2,1-5H3,(H,27,28,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4n/an/an/an/a7.5n/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))
BDBM183293
PNG
(US9150546, I-462 | US9688643, I-462 | US9718790, I...)
Show SMILES CCOc1ccc(cc1C)\N=c1/[nH]c(=O)n(CC(C)(C)C(=O)OC)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H29ClN4O5/c1-6-35-20-12-11-19(13-16(20)2)27-22-28-23(32)30(15-25(3,4)21(31)34-5)24(33)29(22)14-17-7-9-18(26)10-8-17/h7-13H,6,14-15H2,1-5H3,(H,27,28,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4n/an/an/an/an/an/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