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BDBM50399175 CHEMBL2180171

SMILES: O=C(NCCc1ccccc1)N1c2ccccc2Oc2ccccc12

InChI Key: InChIKey=PTLRJNRRUGVPRK-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50399175   
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 7


(Homo sapiens (Human))
BDBM50399175
PNG
(CHEMBL2180171)
Show SMILES O=C(NCCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C21H18N2O2/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(HUMAN)
BDBM50399175
PNG
(CHEMBL2180171)
Show SMILES O=C(NCCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C21H18N2O2/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
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n/an/a 1.78E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Mus musculus)
BDBM50399175
PNG
(CHEMBL2180171)
Show SMILES O=C(NCCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C21H18N2O2/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2X4 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
PurinergicP2X2/3


(HUMAN)
BDBM50399175
PNG
(CHEMBL2180171)
Show SMILES O=C(NCCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C21H18N2O2/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X2 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X purinoceptor 1


(HUMAN)
BDBM50399175
PNG
(CHEMBL2180171)
Show SMILES O=C(NCCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C21H18N2O2/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X1 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair
P2X3 purinoceptor


(Homo sapiens (human))
BDBM50399175
PNG
(CHEMBL2180171)
Show SMILES O=C(NCCc1ccccc1)N1c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C21H18N2O2/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
PDB

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UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X3 receptor by cell-based calcium influx assay


J Med Chem 55: 9576-88 (2012)

More data for this
Ligand-Target Pair