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BDBM50262422 CHEMBL477339::sodium (E)-4-((3-formyl-4-hydroxy-5-methyl-2-(phosphonatooxymethyl)phenyl)diazenyl)benzene-1,3-disulfonate

SMILES: Cc1cc(N=Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(COP([O-])([O-])=O)c(C=O)c1O

InChI Key: InChIKey=FFLAALLXNFGXRL-UHFFFAOYSA-J

Data: 2 KI  3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50262422   
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
Ectonucleoside triphosphate diphosphohydrolase 2


(Rattus norvegicus)
BDBM50262422
PNG
(CHEMBL477339 | sodium (E)-4-((3-formyl-4-hydroxy-5...)
Show SMILES Cc1cc(N=Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(COP([O-])([O-])=O)c(C=O)c1O |w:4.3|
Show InChI InChI=1S/C15H15N2O12PS2/c1-8-4-13(11(7-29-30(20,21)22)10(6-18)15(8)19)17-16-12-3-2-9(31(23,24)25)5-14(12)32(26,27)28/h2-6,19H,7H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/p-4
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PC sid
UniChem
Article
PubMed
4.42E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat NTPDase 2


J Med Chem 51: 4518-28 (2008)


Article DOI: 10.1021/jm800175e
BindingDB Entry DOI: 10.7270/Q2XW4KQX
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50262422
PNG
(CHEMBL477339 | sodium (E)-4-((3-formyl-4-hydroxy-5...)
Show SMILES Cc1cc(N=Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(COP([O-])([O-])=O)c(C=O)c1O |w:4.3|
Show InChI InChI=1S/C15H15N2O12PS2/c1-8-4-13(11(7-29-30(20,21)22)10(6-18)15(8)19)17-16-12-3-2-9(31(23,24)25)5-14(12)32(26,27)28/h2-6,19H,7H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/p-4
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UniChem
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PubMed
4.60E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat NTPDase 1


J Med Chem 51: 4518-28 (2008)


Article DOI: 10.1021/jm800175e
BindingDB Entry DOI: 10.7270/Q2XW4KQX
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50262422
PNG
(CHEMBL477339 | sodium (E)-4-((3-formyl-4-hydroxy-5...)
Show SMILES Cc1cc(N=Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(COP([O-])([O-])=O)c(C=O)c1O |w:4.3|
Show InChI InChI=1S/C15H15N2O12PS2/c1-8-4-13(11(7-29-30(20,21)22)10(6-18)15(8)19)17-16-12-3-2-9(31(23,24)25)5-14(12)32(26,27)28/h2-6,19H,7H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/p-4
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...


J Med Chem 51: 4518-28 (2008)


Article DOI: 10.1021/jm800175e
BindingDB Entry DOI: 10.7270/Q2XW4KQX
More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50262422
PNG
(CHEMBL477339 | sodium (E)-4-((3-formyl-4-hydroxy-5...)
Show SMILES Cc1cc(N=Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(COP([O-])([O-])=O)c(C=O)c1O |w:4.3|
Show InChI InChI=1S/C15H15N2O12PS2/c1-8-4-13(11(7-29-30(20,21)22)10(6-18)15(8)19)17-16-12-3-2-9(31(23,24)25)5-14(12)32(26,27)28/h2-6,19H,7H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/p-4
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UniChem
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current b...


J Med Chem 54: 817-30 (2012)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50262422
PNG
(CHEMBL477339 | sodium (E)-4-((3-formyl-4-hydroxy-5...)
Show SMILES Cc1cc(N=Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(COP([O-])([O-])=O)c(C=O)c1O |w:4.3|
Show InChI InChI=1S/C15H15N2O12PS2/c1-8-4-13(11(7-29-30(20,21)22)10(6-18)15(8)19)17-16-12-3-2-9(31(23,24)25)5-14(12)32(26,27)28/h2-6,19H,7H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/p-4
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n/an/a 7.30E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y4 receptor expressed in human 1321N1 cells assessed as inhibition of UTP-induced intracellular calcium mobilization b...


J Med Chem 51: 4518-28 (2008)


Article DOI: 10.1021/jm800175e
BindingDB Entry DOI: 10.7270/Q2XW4KQX
More data for this
Ligand-Target Pair