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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 6' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 6


(Homo sapiens)
BDBM50415563
PNG
(CHEMBL605325)
Show SMILES CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)c1ncccn1)-c1ccccc1
Show InChI InChI=1S/C24H30N6O2/c1-3-8-20-21(32-23(28-20)19-9-5-4-6-10-19)22(31)27-18(2)17-29-13-15-30(16-14-29)24-25-11-7-12-26-24/h4-7,9-12,18H,3,8,13-17H2,1-2H3,(H,27,31)
KEGG

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Antagonist activity at P2X6 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 6


(Homo sapiens)
BDBM50415550
PNG
(CHEMBL599760 | Ro-85)
Show SMILES C[C@H](CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1
Show InChI InChI=1S/C22H27N5O2S/c1-15(14-26-9-11-27(12-10-26)16(2)28)23-21(29)19-13-18-20(17-7-5-4-6-8-17)24-25(3)22(18)30-19/h4-8,13,15H,9-12,14H2,1-3H3,(H,23,29)/t15-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Antagonist activity at P2X6 receptor


Citation and Details
More data for this
Ligand-Target Pair
P2X purinoceptor 6


(Homo sapiens)
BDBM50118219
PNG
(Bz-ATP | CHEMBL339386)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H24N5O14P3/c24-20-17-21(26-11-25-20)28(12-27-17)22-19(40-23(30)15-8-6-14(7-9-15)13-4-2-1-3-5-13)18(29)16(39-22)10-38-44(34,35)42-45(36,37)41-43(31,32)33/h1-9,11-12,16,18-19,22,29H,10H2,(H,34,35)(H,36,37)(H2,24,25,26)(H2,31,32,33)/t16-,18-,19-,22-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/an/an/a 2.50E+4n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 6 (P2X6 )


J Med Chem 45: 4057-93 (2002)

More data for this
Ligand-Target Pair