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PubMed code 26599519

Compile data set for download or QSAR
Found 6 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
Cytosolic purine 5'-nucleotidase


(Homo sapiens)		BDBM50500514
PNG
(CHEMBL3746819)
Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1ccccc1-c1ccc(cc1)-n1cccc1
Show InChI InChI=1S/C22H16N6O/c29-22(27-21-19-20(24-13-23-19)25-14-26-21)18-6-2-1-5-17(18)15-7-9-16(10-8-15)28-11-3-4-12-28/h1-14H,(H2,23,24,25,26,27,29)
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UniChem
Article
PubMed
 4.60E+5n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate h...

J Med Chem 58: 9680-96 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01616
BindingDB Entry DOI: 10.7270/Q2SF3062
More data for this
Ligand-Target Pair
Cytosolic purine 5'-nucleotidase


(Homo sapiens)		BDBM50500511
PNG
(CHEMBL3746624)
Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1cccc(c1)-n1cccc1
Show InChI InChI=1S/C22H16N6O/c29-22(27-21-19-20(24-13-23-19)25-14-26-21)17-7-3-5-15(11-17)16-6-4-8-18(12-16)28-9-1-2-10-28/h1-14H,(H2,23,24,25,26,27,29)
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UniChem
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PubMed
 7.90E+5n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate h...

J Med Chem 58: 9680-96 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01616
BindingDB Entry DOI: 10.7270/Q2SF3062
More data for this
Ligand-Target Pair
Cytosolic purine 5'-nucleotidase


(Homo sapiens)		BDBM50500515
PNG
(CHEMBL3747390)
Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)
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UniChem
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PubMed
 9.50E+5n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate hydro...

J Med Chem 58: 9680-96 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01616
BindingDB Entry DOI: 10.7270/Q2SF3062
More data for this
Ligand-Target Pair
Cytosolic purine 5'-nucleotidase


(Homo sapiens)		BDBM50500513
PNG
(CHEMBL3746419)
Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1ccccc1-c1cccc(c1)-n1cccc1
Show InChI InChI=1S/C22H16N6O/c29-22(27-21-19-20(24-13-23-19)25-14-26-21)18-9-2-1-8-17(18)15-6-5-7-16(12-15)28-10-3-4-11-28/h1-14H,(H2,23,24,25,26,27,29)
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UniChem
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PubMed
 1.65E+6n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate h...

J Med Chem 58: 9680-96 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01616
BindingDB Entry DOI: 10.7270/Q2SF3062
More data for this
Ligand-Target Pair
Cytosolic purine 5'-nucleotidase


(Homo sapiens)		BDBM50500510
PNG
(CHEMBL3746211)
Show SMILES [Na;v0+].[Na;v0+].[#8-]S(=O)(=O)c1ccc2-[#6](=O)-c3cc(ccc3-[#6](=O)-c2c1)S([#8-])(=O)=O
Show InChI InChI=1S/C14H8O8S2/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)/p-2
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PC cid
PC sid
UniChem
Article
PubMed
 2.00E+6n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate hydrolysis by rap...

J Med Chem 58: 9680-96 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01616
BindingDB Entry DOI: 10.7270/Q2SF3062
More data for this
Ligand-Target Pair
Cytosolic purine 5'-nucleotidase


(Homo sapiens)		BDBM50500512
PNG
(CHEMBL3746515)
Show SMILES O=C(Nc1ncnc2[nH]cnc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H2,19,20,21,22,23,24)
PDB
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UniProtKB/SwissProt

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KEGG
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PC sid
UniChem
Article
PubMed
 2.78E+6n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate hydro...

J Med Chem 58: 9680-96 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01616
BindingDB Entry DOI: 10.7270/Q2SF3062
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%