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SMILES: CCOC(=O)CCCn1c(=O)[nH]\c(=N/c2ccc3oc(C)cc3c2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=NRMCIFMJBUNITC-UHFFFAOYSA-N

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 = 183334   
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))
BDBM183334
PNG
(US9150546, I-504 | US9688643, I-504 | US9718790, I...)
Show SMILES CCOC(=O)CCCn1c(=O)[nH]\c(=N/c2ccc3oc(C)cc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H25ClN4O5/c1-3-34-22(31)5-4-12-29-24(32)28-23(27-20-10-11-21-18(14-20)13-16(2)35-21)30(25(29)33)15-17-6-8-19(26)9-7-17/h6-11,13-14H,3-5,12,15H2,1-2H3,(H,27,28,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 15n/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))
BDBM183334
PNG
(US9150546, I-504 | US9688643, I-504 | US9718790, I...)
Show SMILES CCOC(=O)CCCn1c(=O)[nH]\c(=N/c2ccc3oc(C)cc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H25ClN4O5/c1-3-34-22(31)5-4-12-29-24(32)28-23(27-20-10-11-21-18(14-20)13-16(2)35-21)30(25(29)33)15-17-6-8-19(26)9-7-17/h6-11,13-14H,3-5,12,15H2,1-2H3,(H,27,28,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 15n/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
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183334
PNG
(US9150546, I-504 | US9688643, I-504 | US9718790, I...)
Show SMILES CCOC(=O)CCCn1c(=O)[nH]\c(=N/c2ccc3oc(C)cc3c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H25ClN4O5/c1-3-34-22(31)5-4-12-29-24(32)28-23(27-20-10-11-21-18(14-20)13-16(2)35-21)30(25(29)33)15-17-6-8-19(26)9-7-17/h6-11,13-14H,3-5,12,15H2,1-2H3,(H,27,28,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 15n/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