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PubMed code 10762053

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50087267
PNG
((1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-t...)
Show SMILES CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1
PDB

KEGG

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CHEMBL
MCE
PC cid
PC sid
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Patents


Similars

PubMed
n/an/a 13n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated against P2X purinoceptor 7


Bioorg Med Chem Lett 10: 681-4 (2000)


BindingDB Entry DOI: 10.7270/Q26M3626
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50087268
PNG
(CHEMBL350311 | [(S)-7-(Isoquinoline-5-sulfonyl)-2-...)
Show SMILES O=C([C@@H]1Cc2ccc(cc2CN1S(=O)(=O)c1cccc2ccccc12)S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C39H34N4O5S2/c44-39(42-22-20-41(21-23-42)32-11-2-1-3-12-32)36-25-29-16-17-33(49(45,46)37-14-7-10-30-26-40-19-18-35(30)37)24-31(29)27-43(36)50(47,48)38-15-6-9-28-8-4-5-13-34(28)38/h1-19,24,26,36H,20-23,25,27H2/t36-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 316n/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated against P2X purinoceptor 7


Bioorg Med Chem Lett 10: 681-4 (2000)


BindingDB Entry DOI: 10.7270/Q26M3626
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%