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BDBM50227018 CHEMBL404659::Sodium 1-amino-4-(3-nitrophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

SMILES: Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)[N+]([O-])=O)cc1S([O-])(=O)=O

InChI Key: InChIKey=BFYKRGJJESUQPP-UHFFFAOYSA-M

Data: 1 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50227018   
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 P2Y12


(Homo sapiens (Human))
BDBM50227018
PNG
(CHEMBL404659 | Sodium 1-amino-4-(3-nitrophenylamin...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)[N+]([O-])=O)cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H13N3O7S/c21-18-15(31(28,29)30)9-14(22-10-4-3-5-11(8-10)23(26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,22H,21H2,(H,28,29,30)/p-1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor


J Med Chem 52: 3784-93 (2009)

More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50227018
PNG
(CHEMBL404659 | Sodium 1-amino-4-(3-nitrophenylamin...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)[N+]([O-])=O)cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H13N3O7S/c21-18-15(31(28,29)30)9-14(22-10-4-3-5-11(8-10)23(26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,22H,21H2,(H,28,29,30)/p-1
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Article
PubMed
n/an/a>1.00E+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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50227018
PNG
(CHEMBL404659 | Sodium 1-amino-4-(3-nitrophenylamin...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)[N+]([O-])=O)cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H13N3O7S/c21-18-15(31(28,29)30)9-14(22-10-4-3-5-11(8-10)23(26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,22H,21H2,(H,28,29,30)/p-1
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PubMed
n/an/a>1.00E+5n/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)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50227018
PNG
(CHEMBL404659 | Sodium 1-amino-4-(3-nitrophenylamin...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)[N+]([O-])=O)cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H13N3O7S/c21-18-15(31(28,29)30)9-14(22-10-4-3-5-11(8-10)23(26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,22H,21H2,(H,28,29,30)/p-1
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Article
PubMed
n/an/a 7.52E+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)

More data for this
Ligand-Target Pair