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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50596640'   
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))
BDBM50596640
PNG
(CHEMBL5194775)
Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:21:22:25.20.19:17,21:20:22.24.23:17|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50596640
PNG
(CHEMBL5194775)
Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:21:22:25.20.19:17,21:20:22.24.23:17|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50596640
PNG
(CHEMBL5194775)
Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:21:22:25.20.19:17,21:20:22.24.23:17|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.08E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50596640
PNG
(CHEMBL5194775)
Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:21:22:25.20.19:17,21:20:22.24.23:17|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.62E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50596640
PNG
(CHEMBL5194775)
Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:21:22:25.20.19:17,21:20:22.24.23:17|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.19E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K
More data for this
Ligand-Target Pair