BindingDB logo
myBDB logout

null

SMILES: CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1F

InChI Key: InChIKey=NEEKIVKPSARQCC-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 4 hits for monomerid = 183107   
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))
BDBM183107
PNG
(US9150546, I-244 | US9688643, I-244 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H24ClFN4O3/c1-13(2)28-21(29)26-20(25-17-9-10-19(18(24)11-17)31-14(3)4)27(22(28)30)12-15-5-7-16(23)8-6-15/h5-11,13-14H,12H2,1-4H3,(H,25,26,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 45n/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))
BDBM183107
PNG
(US9150546, I-244 | US9688643, I-244 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H24ClFN4O3/c1-13(2)28-21(29)26-20(25-17-9-10-19(18(24)11-17)31-14(3)4)27(22(28)30)12-15-5-7-16(23)8-6-15/h5-11,13-14H,12H2,1-4H3,(H,25,26,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 45n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM183107
PNG
(US9150546, I-244 | US9688643, I-244 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H24ClFN4O3/c1-13(2)28-21(29)26-20(25-17-9-10-19(18(24)11-17)31-14(3)4)27(22(28)30)12-15-5-7-16(23)8-6-15/h5-11,13-14H,12H2,1-4H3,(H,25,26,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 45n/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))
BDBM183107
PNG
(US9150546, I-244 | US9688643, I-244 | US9718790, I...)
Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C22H24ClFN4O3/c1-13(2)28-21(29)26-20(25-17-9-10-19(18(24)11-17)31-14(3)4)27(22(28)30)12-15-5-7-16(23)8-6-15/h5-11,13-14H,12H2,1-4H3,(H,25,26,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 45n/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