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BDBM50446070 CHEMBL3103371

SMILES: O=C(N1CCCCC1)N1c2ccccc2C=Cc2ccccc12

InChI Key: InChIKey=YOBBOVRZEZSALX-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50446070   
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 4


(Homo sapiens (Human))
BDBM50446070
PNG
(CHEMBL3103371)
Show SMILES O=C(N1CCCCC1)N1c2ccccc2C=Cc2ccccc12 |c:17|
Show InChI InChI=1S/C20H20N2O/c23-20(21-14-6-1-7-15-21)22-18-10-4-2-8-16(18)12-13-17-9-3-5-11-19(17)22/h2-5,8-13H,1,6-7,14-15H2
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UniChem
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n/an/a 1.37E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...


Bioorg Med Chem 22: 1077-88 (2014)


Article DOI: 10.1016/j.bmc.2013.12.035
BindingDB Entry DOI: 10.7270/Q21R6S09
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50446070
PNG
(CHEMBL3103371)
Show SMILES O=C(N1CCCCC1)N1c2ccccc2C=Cc2ccccc12 |c:17|
Show InChI InChI=1S/C20H20N2O/c23-20(21-14-6-1-7-15-21)22-18-10-4-2-8-16(18)12-13-17-9-3-5-11-19(17)22/h2-5,8-13H,1,6-7,14-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...


Bioorg Med Chem 22: 1077-88 (2014)


Article DOI: 10.1016/j.bmc.2013.12.035
BindingDB Entry DOI: 10.7270/Q21R6S09
More data for this
Ligand-Target Pair
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM50446070
PNG
(CHEMBL3103371)
Show SMILES O=C(N1CCCCC1)N1c2ccccc2C=Cc2ccccc12 |c:17|
Show InChI InChI=1S/C20H20N2O/c23-20(21-14-6-1-7-15-21)22-18-10-4-2-8-16(18)12-13-17-9-3-5-11-19(17)22/h2-5,8-13H,1,6-7,14-15H2
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n/an/a 7.98E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X3 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...


Bioorg Med Chem 22: 1077-88 (2014)


Article DOI: 10.1016/j.bmc.2013.12.035
BindingDB Entry DOI: 10.7270/Q21R6S09
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Mus musculus)
BDBM50446070
PNG
(CHEMBL3103371)
Show SMILES O=C(N1CCCCC1)N1c2ccccc2C=Cc2ccccc12 |c:17|
Show InChI InChI=1S/C20H20N2O/c23-20(21-14-6-1-7-15-21)22-18-10-4-2-8-16(18)12-13-17-9-3-5-11-19(17)22/h2-5,8-13H,1,6-7,14-15H2
PDB

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GoogleScholar
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PC cid
PC sid
UniChem
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n/an/a 1.02E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP ad...


Bioorg Med Chem 22: 1077-88 (2014)


Article DOI: 10.1016/j.bmc.2013.12.035
BindingDB Entry DOI: 10.7270/Q21R6S09
More data for this
Ligand-Target Pair
P2X purinoceptor 1


(Homo sapiens (Human))
BDBM50446070
PNG
(CHEMBL3103371)
Show SMILES O=C(N1CCCCC1)N1c2ccccc2C=Cc2ccccc12 |c:17|
Show InChI InChI=1S/C20H20N2O/c23-20(21-14-6-1-7-15-21)22-18-10-4-2-8-16(18)12-13-17-9-3-5-11-19(17)22/h2-5,8-13H,1,6-7,14-15H2
Reactome pathway
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n/an/a 2.07E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X1 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...


Bioorg Med Chem 22: 1077-88 (2014)


Article DOI: 10.1016/j.bmc.2013.12.035
BindingDB Entry DOI: 10.7270/Q21R6S09
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(RAT)
BDBM50446070
PNG
(CHEMBL3103371)
Show SMILES O=C(N1CCCCC1)N1c2ccccc2C=Cc2ccccc12 |c:17|
Show InChI InChI=1S/C20H20N2O/c23-20(21-14-6-1-7-15-21)22-18-10-4-2-8-16(18)12-13-17-9-3-5-11-19(17)22/h2-5,8-13H,1,6-7,14-15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.58E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at rat P2X4 receptor assessed as inhibition of ATP-induced calcium influx preincubated for 30 mins followed by ATP addition by Fl...


Bioorg Med Chem 22: 1077-88 (2014)


Article DOI: 10.1016/j.bmc.2013.12.035
BindingDB Entry DOI: 10.7270/Q21R6S09
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50446070
PNG
(CHEMBL3103371)
Show SMILES O=C(N1CCCCC1)N1c2ccccc2C=Cc2ccccc12 |c:17|
Show InChI InChI=1S/C20H20N2O/c23-20(21-14-6-1-7-15-21)22-18-10-4-2-8-16(18)12-13-17-9-3-5-11-19(17)22/h2-5,8-13H,1,6-7,14-15H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...


Bioorg Med Chem 22: 1077-88 (2014)


Article DOI: 10.1016/j.bmc.2013.12.035
BindingDB Entry DOI: 10.7270/Q21R6S09
More data for this
Ligand-Target Pair