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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50237705'   
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))
BDBM50237705
PNG
(CHEMBL4063086)
Show SMILES N#C\N=C(\NCc1ccccn1)NCC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17:21.20.19,THB:22:20:17:15.23.14,22:14:17:21.20.19,19:20:15:17.18.23,19:18:15:21.22.20|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 138n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V1a receptor


Eur J Med Chem 130: 433-439 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.060
BindingDB Entry DOI: 10.7270/Q2SJ1NW5
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50237705
PNG
(CHEMBL4063086)
Show SMILES N#C\N=C(\NCc1ccccn1)NCC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17:21.20.19,THB:22:20:17:15.23.14,22:14:17:21.20.19,19:20:15:17.18.23,19:18:15:21.22.20|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 234n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand


Eur J Med Chem 130: 433-439 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.060
BindingDB Entry DOI: 10.7270/Q2SJ1NW5
More data for this
Ligand-Target Pair