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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'm7GpppX diphosphatase' and Ligand = 'BDBM50237217'   
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
m7GpppX diphosphatase


(Homo sapiens (Human))
BDBM50237217
PNG
(CHEMBL342595)
Show SMILES Nc1nc(N)c2c(OCc3ccccc3)cccc2n1
Show InChI InChI=1S/C15H14N4O/c16-14-13-11(18-15(17)19-14)7-4-8-12(13)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H4,16,17,18,19)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 3 receptor was evaluated


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
m7GpppX diphosphatase


(Homo sapiens (Human))
BDBM50237217
PNG
(CHEMBL342595)
Show SMILES Nc1nc(N)c2c(OCc3ccccc3)cccc2n1
Show InChI InChI=1S/C15H14N4O/c16-14-13-11(18-15(17)19-14)7-4-8-12(13)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H4,16,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Eberhard Karls University T£bingen

Curated by ChEMBL


Assay Description
Inhibition of DcpS (unknown origin) using m7GpppA as substrate by ELISA


J Med Chem 62: 5673-5724 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01153
BindingDB Entry DOI: 10.7270/Q2959MWN
More data for this
Ligand-Target Pair