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BDBM50336767 CHEMBL257495::PSB-716::sodium 1-amino-4-(2-methoxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

SMILES: COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O

InChI Key: InChIKey=WCRXWKFBJBYISN-UHFFFAOYSA-M

Data: 2 KI  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 9 hits for monomerid = 50336767   
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
Purinergic receptor P2Y2


(Mus musculus)
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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PC sid
UniChem
Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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UniChem
Article
PubMed
n/an/a 9.82E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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UniChem
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat NTPDase 1


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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PC sid
UniChem
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat ecto-5'-nucleotidase


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 3.98E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL




J Med Chem 60: 3020-3038 (2017)

More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Rattus norvegicus)
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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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 rat P2Y6 receptor


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 2.00E+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
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(RAT)
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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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 against rat P2X4 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
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50336767
PNG
(CHEMBL257495 | PSB-716 | sodium 1-amino-4-(2-metho...)
Show SMILES COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y4 receptor


Bioorg Med Chem Lett 18: 223-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.082
More data for this
Ligand-Target Pair