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SMILES: CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CCC(C)(C)C(=O)OCc2ccccc2)c(=O)n1Cc1ccc(Cl)cc1

InChI Key: InChIKey=OOPDFVLJBFXGIN-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 183237   
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))
BDBM183237
PNG
(US9150546, I-407 | US9688643, I-407 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CCC(C)(C)C(=O)OCc2ccccc2)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C32H34Cl2N4O5/c1-21(2)43-27-15-14-25(18-26(27)34)35-29-36-30(40)37(31(41)38(29)19-22-10-12-24(33)13-11-22)17-16-32(3,4)28(39)42-20-23-8-6-5-7-9-23/h5-15,18,21H,16-17,19-20H2,1-4H3,(H,35,36,40)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 27n/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))
BDBM183237
PNG
(US9150546, I-407 | US9688643, I-407 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CCC(C)(C)C(=O)OCc2ccccc2)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C32H34Cl2N4O5/c1-21(2)43-27-15-14-25(18-26(27)34)35-29-36-30(40)37(31(41)38(29)19-22-10-12-24(33)13-11-22)17-16-32(3,4)28(39)42-20-23-8-6-5-7-9-23/h5-15,18,21H,16-17,19-20H2,1-4H3,(H,35,36,40)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 27n/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))
BDBM183237
PNG
(US9150546, I-407 | US9688643, I-407 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CCC(C)(C)C(=O)OCc2ccccc2)c(=O)n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C32H34Cl2N4O5/c1-21(2)43-27-15-14-25(18-26(27)34)35-29-36-30(40)37(31(41)38(29)19-22-10-12-24(33)13-11-22)17-16-32(3,4)28(39)42-20-23-8-6-5-7-9-23/h5-15,18,21H,16-17,19-20H2,1-4H3,(H,35,36,40)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 27n/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