BindingDB logo
myBDB logout

BDBM183098 US9150546, I-234::US9688643, I-234::US9718790, I-0234

SMILES: CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cn2)cc1Cl

InChI Key: InChIKey=AVXMYJGDEUEZIL-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 = 183098   
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))
BDBM183098
PNG
(US9150546, I-234 | US9688643, I-234 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cn2)cc1Cl
Show InChI InChI=1S/C21H23Cl2N5O3/c1-12(2)28-20(29)26-19(25-15-7-8-18(17(23)9-15)31-13(3)4)27(21(28)30)11-16-6-5-14(22)10-24-16/h5-10,12-13H,11H2,1-4H3,(H,25,26,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 298n/an/an/an/an/an/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 US9150546 (2015)


BindingDB Entry DOI: 10.7270/Q2416VV1
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM183098
PNG
(US9150546, I-234 | US9688643, I-234 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cn2)cc1Cl
Show InChI InChI=1S/C21H23Cl2N5O3/c1-12(2)28-20(29)26-19(25-15-7-8-18(17(23)9-15)31-13(3)4)27(21(28)30)11-16-6-5-14(22)10-24-16/h5-10,12-13H,11H2,1-4H3,(H,25,26,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 298n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (human))
BDBM183098
PNG
(US9150546, I-234 | US9688643, I-234 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cn2)cc1Cl
Show InChI InChI=1S/C21H23Cl2N5O3/c1-12(2)28-20(29)26-19(25-15-7-8-18(17(23)9-15)31-13(3)4)27(21(28)30)11-16-6-5-14(22)10-24-16/h5-10,12-13H,11H2,1-4H3,(H,25,26,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 298n/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