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2 similar compounds to monomer 50370141

Compile data set for download or QSAR
Wt: 713.2
BDBM86486
Wt: 713.2
BDBM50336798

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 86486,50336798   
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 3


(Homo sapiens (Human))
BDBM86486
PNG
(ATP,TNP | CAS_644357 | NSC_644357)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C2OC3(OC12)C(=CC(C=C3[N+]([O-])=O)=[N+]([O-])[O-])[N+]([O-])=O
Show InChI InChI=1/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H6-,17,18,19,25,26,31,32,33,34,35,36,37)/q-1/p-4
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)


Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR
More data for this
Ligand-Target Pair
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM86486
PNG
(ATP,TNP | CAS_644357 | NSC_644357)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C2OC3(OC12)C(=CC(C=C3[N+]([O-])=O)=[N+]([O-])[O-])[N+]([O-])=O
Show InChI InChI=1/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H6-,17,18,19,25,26,31,32,33,34,35,36,37)/q-1/p-4
UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
14.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 407-16 (2004)


Article DOI: 10.1124/jpet.103.064907
BindingDB Entry DOI: 10.7270/Q2SQ8XZR
More data for this
Ligand-Target Pair
Purinergic, P2X2


(RAT)
BDBM50336798
PNG
(CHEMBL1672108 | sodium(3a'R,4'R,6'R,6a'R)-4'-(6-am...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C2OC3(OC12)C(=CC(=CC3=[N+]([O-])[O-])[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1/C16H16N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H6-,17,18,19,27,28,31,32,33,34,35,36,37)/q-1/p-4
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
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