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Compile Data Set for Download or QSAR

Found 3 hits of kd data for polymerid = 6987   
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))
BDBM50126720
PNG
((S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-ox...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1C)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C39H37N5O6S2/c1-28-7-3-4-10-35(28)43-21-23-44(24-22-43)39(45)36(42(2)51(46,47)37-11-5-8-30-26-40-19-17-33(30)37)25-29-13-15-32(16-14-29)50-52(48,49)38-12-6-9-31-27-41-20-18-34(31)38/h3-20,26-27,36H,21-25H2,1-2H3/t36-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.60n/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Equilibrium constant for P2X purinoceptor 7 expressed in HEK 293 cells at 1 uM


Bioorg Med Chem Lett 14: 5709-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.095
BindingDB Entry DOI: 10.7270/Q2ZW1KCM
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50126720
PNG
((S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-ox...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1C)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C39H37N5O6S2/c1-28-7-3-4-10-35(28)43-21-23-44(24-22-43)39(45)36(42(2)51(46,47)37-11-5-8-30-26-40-19-17-33(30)37)25-29-13-15-32(16-14-29)50-52(48,49)38-12-6-9-31-27-41-20-18-34(31)38/h3-20,26-27,36H,21-25H2,1-2H3/t36-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.60n/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Maximum binding affinity towards P2X purinoceptor 7 expressed in HEK 293 cells


Bioorg Med Chem Lett 14: 5709-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.095
BindingDB Entry DOI: 10.7270/Q2ZW1KCM
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50586608
PNG
(CHEMBL5083184)
Show SMILES CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3/NC(=O)C(C)=C3C=C)c(C)c2CCC(O)=O)c(CCC(O)=O)c1C |c:1,24|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 710n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human wild type P2X7R assessed as dissociation constant by microscale thermophoresis analysis


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128361
BindingDB Entry DOI: 10.7270/Q2D222JS
More data for this
Ligand-Target Pair