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Compile Data Set for Download or QSAR

Found 14 hits of affinity data for UniProtKB/TrEMBL: P00817   
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
Inorganic pyrophosphatase (ScPPiase)


(Saccharomyces cerevisiae (Yeast))
BDBM205472
PNG
(PPiase inhibitor, 16)
Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1CCc1ccccc1)N1CCCCCC1
Show InChI InChI=1S/C29H42N6/c1-3-5-19-34(20-6-4-2)28-30-27(31-29(32-28)35-21-12-7-8-13-22-35)26-17-14-23-33(26)24-18-25-15-10-9-11-16-25/h9-11,14-17,23H,3-8,12-13,18-22,24H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.79E+5n/an/an/an/an/an/a



University of Kentucky



Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...


ACS Chem Biol 11: 3084-3092 (2016)

More data for this
Ligand-Target Pair
Inorganic pyrophosphatase (ScPPiase)


(Saccharomyces cerevisiae (Yeast))
BDBM205473
PNG
(PPiase inhibitor, 17)
Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1CCCc1ccccc1)N1CCCCCC1
Show InChI InChI=1S/C30H44N6/c1-3-5-20-35(21-6-4-2)29-31-28(32-30(33-29)36-22-12-7-8-13-23-36)27-19-15-25-34(27)24-14-18-26-16-10-9-11-17-26/h9-11,15-17,19,25H,3-8,12-14,18,20-24H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.93E+5n/an/an/an/an/an/a



University of Kentucky



Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...


ACS Chem Biol 11: 3084-3092 (2016)

More data for this
Ligand-Target Pair
Inorganic pyrophosphatase (ScPPiase)


(Saccharomyces cerevisiae (Yeast))
BDBM205469
PNG
(PPiase inhibitor, 13)
Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1
Show InChI InChI=1S/C27H38N6/c1-3-5-18-31(19-6-4-2)26-28-25(29-27(30-26)32-20-12-7-8-13-21-32)24-17-14-22-33(24)23-15-10-9-11-16-23/h9-11,14-17,22H,3-8,12-13,18-21H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



University of Kentucky



Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...


ACS Chem Biol 11: 3084-3092 (2016)

More data for this
Ligand-Target Pair
Inorganic pyrophosphatase (ScPPiase)


(Saccharomyces cerevisiae (Yeast))
BDBM205474
PNG
(PPiase inhibitor, 18)
Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1-c1cc(C)cc(C)c1)N1CCCCCC1
Show InChI InChI=1S/C29H42N6/c1-5-7-15-33(16-8-6-2)28-30-27(31-29(32-28)34-17-11-9-10-12-18-34)26-14-13-19-35(26)25-21-23(3)20-24(4)22-25/h13-14,19-22H,5-12,15-18H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.28E+5n/an/an/an/an/an/a



University of Kentucky



Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...


ACS Chem Biol 11: 3084-3092 (2016)

More data for this
Ligand-Target Pair
Inorganic pyrophosphatase (ScPPiase)


(Saccharomyces cerevisiae (Yeast))
BDBM205464
PNG
(PPiase inhibitor, 1)
Show SMILES C1CN1c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CC1
Show InChI InChI=1S/C17H16N6/c1-2-5-13(6-3-1)23-8-4-7-14(23)15-18-16(21-9-10-21)20-17(19-15)22-11-12-22/h1-8H,9-12H2
PDB

UniProtKB/SwissProt

GoogleScholar
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Purchase

PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3.55E+5n/an/an/an/an/an/a



University of Kentucky



Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...


ACS Chem Biol 11: 3084-3092 (2016)

More data for this
Ligand-Target Pair
Inorganic pyrophosphatase (ScPPiase)


(Saccharomyces cerevisiae (Yeast))
BDBM205470
PNG
(PPiase inhibitor, 14)
Show SMILES CCCCCCN(CCCCCC)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1
Show InChI InChI=1S/C31H46N6/c1-3-5-7-14-22-35(23-15-8-6-4-2)30-32-29(33-31(34-30)36-24-16-9-10-17-25-36)28-21-18-26-37(28)27-19-12-11-13-20-27/h11-13,18-21,26H,3-10,14-17,22-25H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.78E+5n/an/an/an/an/an/a



University of Kentucky



Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...


ACS Chem Biol 11: 3084-3092 (2016)

More data for this
Ligand-Target Pair
Inorganic pyrophosphatase (ScPPiase)


(Saccharomyces cerevisiae (Yeast))
BDBM205475
PNG
(PPiase inhibitor, 19)
Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1C1CCCCC1)N1CCCCCC1
Show InChI InChI=1S/C27H44N6/c1-3-5-18-31(19-6-4-2)26-28-25(29-27(30-26)32-20-12-7-8-13-21-32)24-17-14-22-33(24)23-15-10-9-11-16-23/h14,17,22-23H,3-13,15-16,18-21H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.18E+5n/an/an/an/an/an/a



University of Kentucky



Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...


ACS Chem Biol 11: 3084-3092 (2016)

More data for this
Ligand-Target Pair
Inorganic pyrophosphatase (ScPPiase)


(Saccharomyces cerevisiae (Yeast))
BDBM205466
PNG
(PPiase inhibitor, 9)
Show SMILES C1CCCN(CC1)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1
Show InChI InChI=1S/C25H32N6/c1-2-9-17-29(16-8-1)24-26-23(27-25(28-24)30-18-10-3-4-11-19-30)22-15-12-20-31(22)21-13-6-5-7-14-21/h5-7,12-15,20H,1-4,8-11,16-19H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.55E+5n/an/an/an/an/an/a



University of Kentucky



Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...


ACS Chem Biol 11: 3084-3092 (2016)

More data for this
Ligand-Target Pair
Inorganic pyrophosphatase (ScPPiase)


(Saccharomyces cerevisiae (Yeast))
BDBM205477
PNG
(PPiase inhibitor, 21)
Show SMILES Cc1cc(C)cc(c1)-n1cccc1-c1nc(nc(n1)N1CCCCCC1)N1CCCCCC1
Show InChI InChI=1S/C27H36N6/c1-21-18-22(2)20-23(19-21)33-17-11-12-24(33)25-28-26(31-13-7-3-4-8-14-31)30-27(29-25)32-15-9-5-6-10-16-32/h11-12,17-20H,3-10,13-16H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+5n/an/an/an/an/an/a



University of Kentucky



Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...


ACS Chem Biol 11: 3084-3092 (2016)

More data for this
Ligand-Target Pair
Inorganic pyrophosphatase (ScPPiase)


(Saccharomyces cerevisiae (Yeast))
BDBM205471
PNG
(PPiase inhibitor, 15)
Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1Cc1ccccc1)N1CCCCCC1
Show InChI InChI=1S/C28H40N6/c1-3-5-18-32(19-6-4-2)27-29-26(30-28(31-27)33-20-12-7-8-13-21-33)25-17-14-22-34(25)23-24-15-10-9-11-16-24/h9-11,14-17,22H,3-8,12-13,18-21,23H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+5n/an/an/an/an/an/a



University of Kentucky



Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...


ACS Chem Biol 11: 3084-3092 (2016)

More data for this
Ligand-Target Pair
Inorganic pyrophosphatase (ScPPiase)


(Saccharomyces cerevisiae (Yeast))
BDBM205467
PNG
(PPiase inhibitor, 11)
Show SMILES CCCCN(CCCC)c1nc(Cl)nc(n1)-c1cccn1-c1ccccc1
Show InChI InChI=1S/C21H26ClN5/c1-3-5-14-26(15-6-4-2)21-24-19(23-20(22)25-21)18-13-10-16-27(18)17-11-8-7-9-12-17/h7-13,16H,3-6,14-15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+5n/an/an/an/an/an/a



University of Kentucky



Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...


ACS Chem Biol 11: 3084-3092 (2016)

More data for this
Ligand-Target Pair
Inorganic pyrophosphatase (ScPPiase)


(Saccharomyces cerevisiae (Yeast))
BDBM205465
PNG
(PPiase inhibitor, 6)
Show SMILES CN(C)c1nc(nc(n1)-c1cccn1-c1ccccc1)N(C)C
Show InChI InChI=1S/C17H20N6/c1-21(2)16-18-15(19-17(20-16)22(3)4)14-11-8-12-23(14)13-9-6-5-7-10-13/h5-12H,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>6.00E+5n/an/an/an/an/an/a



University of Kentucky



Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...


ACS Chem Biol 11: 3084-3092 (2016)

More data for this
Ligand-Target Pair
Inorganic pyrophosphatase (ScPPiase)


(Saccharomyces cerevisiae (Yeast))
BDBM205476
PNG
(PPiase inhibitor, 20)
Show SMILES CCCCCCN(CCCCCC)c1nc(nc(n1)-c1cccn1Cc1ccccc1)N(CCCC)CCCC
Show InChI InChI=1S/C34H54N6/c1-5-9-13-18-26-39(27-19-14-10-6-2)34-36-32(35-33(37-34)38(24-11-7-3)25-12-8-4)31-23-20-28-40(31)29-30-21-16-15-17-22-30/h15-17,20-23,28H,5-14,18-19,24-27,29H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+5n/an/an/an/an/an/a



University of Kentucky



Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...


ACS Chem Biol 11: 3084-3092 (2016)

More data for this
Ligand-Target Pair
Inorganic pyrophosphatase (ScPPiase)


(Saccharomyces cerevisiae (Yeast))
BDBM205468
PNG
(PPiase inhibitor, 12)
Show SMILES CN(C)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1
Show InChI InChI=1S/C21H26N6/c1-25(2)20-22-19(23-21(24-20)26-14-8-3-4-9-15-26)18-13-10-16-27(18)17-11-6-5-7-12-17/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+5n/an/an/an/an/an/a



University of Kentucky



Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...


ACS Chem Biol 11: 3084-3092 (2016)

More data for this
Ligand-Target Pair