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Compile Data Set for Download or QSAR

Found 18 hits of ki data for polymerid = 50004238   
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
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50254627
PNG
((+/-)-decyloxy(naphthalen-1-yl)methylphosphonic ac...)
Show SMILES CCCCCCCCCCOC(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C21H31O4P/c1-2-3-4-5-6-7-8-11-17-25-21(26(22,23)24)20-16-12-14-18-13-9-10-15-19(18)20/h9-10,12-16,21H,2-8,11,17H2,1H3,(H2,22,23,24)
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4.00E+3n/an/an/an/an/an/a6.2n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of red kidney bean PAP at pH 6.2


Bioorg Med Chem Lett 19: 163-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.125
BindingDB Entry DOI: 10.7270/Q2GQ6XMQ
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50343030
PNG
(CHEMBL1771210 | rac-(Dodecanamido(naphthalen-1-yl)...)
Show SMILES CCCCCCCCCCCC(=O)NC(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C23H34NO4P/c1-2-3-4-5-6-7-8-9-10-18-22(25)24-23(29(26,27)28)21-17-13-15-19-14-11-12-16-20(19)21/h11-17,23H,2-10,18H2,1H3,(H,24,25)(H2,26,27,28)
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5.00E+3n/an/an/an/an/an/a4.9n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Competitive inhibition of red kidney bean PAP using para-nitrophenol as substrate at pH 4.9 preincubated for 10 mins by UV-visible spectrophotometry


Bioorg Med Chem Lett 21: 3092-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.024
BindingDB Entry DOI: 10.7270/Q21836SM
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50343031
PNG
(CHEMBL1771211 | rac-(Naphthalen-1-yl(tetradecanami...)
Show SMILES CCCCCCCCCCCCCC(=O)NC(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C25H38NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-20-24(27)26-25(31(28,29)30)23-19-15-17-21-16-13-14-18-22(21)23/h13-19,25H,2-12,20H2,1H3,(H,26,27)(H2,28,29,30)
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1.10E+4n/an/an/an/an/an/a4.9n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Competitive inhibition of red kidney bean PAP using para-nitrophenol as substrate at pH 4.9 preincubated for 10 mins by UV-visible spectrophotometry


Bioorg Med Chem Lett 21: 3092-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.024
BindingDB Entry DOI: 10.7270/Q21836SM
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50343032
PNG
(CHEMBL1771371 | rac-(Naphthalen-1-yl(palmitamido)m...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NC(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C27H42NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-26(29)28-27(33(30,31)32)25-21-17-19-23-18-15-16-20-24(23)25/h15-21,27H,2-14,22H2,1H3,(H,28,29)(H2,30,31,32)
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3.10E+4n/an/an/an/an/an/a4.9n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Competitive inhibition of red kidney bean PAP using para-nitrophenol as substrate at pH 4.9 preincubated for 10 mins by UV-visible spectrophotometry


Bioorg Med Chem Lett 21: 3092-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.024
BindingDB Entry DOI: 10.7270/Q21836SM
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50254626
PNG
((+/-)-naphthalen-1-yl(octyloxy)methylphosphonic ac...)
Show SMILES CCCCCCCCOC(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C19H27O4P/c1-2-3-4-5-6-9-15-23-19(24(20,21)22)18-14-10-12-16-11-7-8-13-17(16)18/h7-8,10-14,19H,2-6,9,15H2,1H3,(H2,20,21,22)
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5.00E+4n/an/an/an/an/an/a6.2n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of red kidney bean PAP at pH 6.2


Bioorg Med Chem Lett 19: 163-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.125
BindingDB Entry DOI: 10.7270/Q2GQ6XMQ
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50343029
PNG
(CHEMBL1771209 | rac-(Decanamido(naphthalen-1-yl)me...)
Show SMILES CCCCCCCCCC(=O)NC(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C21H30NO4P/c1-2-3-4-5-6-7-8-16-20(23)22-21(27(24,25)26)19-15-11-13-17-12-9-10-14-18(17)19/h9-15,21H,2-8,16H2,1H3,(H,22,23)(H2,24,25,26)
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5.70E+4n/an/an/an/an/an/a4.9n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Competitive inhibition of red kidney bean PAP using para-nitrophenol as substrate at pH 4.9 preincubated for 10 mins by UV-visible spectrophotometry


Bioorg Med Chem Lett 21: 3092-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.024
BindingDB Entry DOI: 10.7270/Q21836SM
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50343029
PNG
(CHEMBL1771209 | rac-(Decanamido(naphthalen-1-yl)me...)
Show SMILES CCCCCCCCCC(=O)NC(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C21H30NO4P/c1-2-3-4-5-6-7-8-16-20(23)22-21(27(24,25)26)19-15-11-13-17-12-9-10-14-18(17)19/h9-15,21H,2-8,16H2,1H3,(H,22,23)(H2,24,25,26)
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1.02E+5n/an/an/an/an/an/a4.9n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of red kidney bean PAP using para-nitrophenol as substrate at pH 4.9 preincubated for 10 mins by UV-visible spectrophotometr...


Bioorg Med Chem Lett 21: 3092-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.024
BindingDB Entry DOI: 10.7270/Q21836SM
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50162816
PNG
(CHEMBL180570 | Medronic acid | Methylene diphsphon...)
Show SMILES OP(O)(=O)CP(O)(O)=O
Show InChI InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)
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1.40E+5n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of red kidney beans purple acid phosphatase


Eur J Med Chem 76: 132-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.008
BindingDB Entry DOI: 10.7270/Q2T43VM0
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50311531
PNG
((2-Carboxyethyl)-phosphonic acid | 3-PHOSPHONOPROP...)
Show SMILES OC(=O)CCP(O)(O)=O
Show InChI InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)
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1.60E+5n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of red kidney beans purple acid phosphatase


Eur J Med Chem 76: 132-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.008
BindingDB Entry DOI: 10.7270/Q2T43VM0
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50343028
PNG
(CHEMBL1771208 | rac-(Octanamido(naphthalen-1-yl)me...)
Show SMILES CCCCCCCC(=O)NC(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C19H26NO4P/c1-2-3-4-5-6-14-18(21)20-19(25(22,23)24)17-13-9-11-15-10-7-8-12-16(15)17/h7-13,19H,2-6,14H2,1H3,(H,20,21)(H2,22,23,24)
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1.95E+5n/an/an/an/an/an/a4.9n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Competitive inhibition of red kidney bean PAP using para-nitrophenol as substrate at pH 4.9 preincubated for 10 mins by UV-visible spectrophotometry


Bioorg Med Chem Lett 21: 3092-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.024
BindingDB Entry DOI: 10.7270/Q21836SM
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50343027
PNG
(CHEMBL1771207 | rac-(Heptanamido(naphthalen-1-yl)m...)
Show SMILES CCCCCCC(=O)NC(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C18H24NO4P/c1-2-3-4-5-13-17(20)19-18(24(21,22)23)16-12-8-10-14-9-6-7-11-15(14)16/h6-12,18H,2-5,13H2,1H3,(H,19,20)(H2,21,22,23)
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2.22E+5n/an/an/an/an/an/a4.9n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Competitive inhibition of red kidney bean PAP using para-nitrophenol as substrate at pH 4.9 preincubated for 10 mins by UV-visible spectrophotometry


Bioorg Med Chem Lett 21: 3092-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.024
BindingDB Entry DOI: 10.7270/Q21836SM
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50343026
PNG
(CHEMBL1771206 | rac-(Butyramido(naphthalen-1-yl)me...)
Show SMILES CCCC(=O)NC(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C15H18NO4P/c1-2-6-14(17)16-15(21(18,19)20)13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10,15H,2,6H2,1H3,(H,16,17)(H2,18,19,20)
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2.38E+5n/an/an/an/an/an/a4.9n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Competitive inhibition of red kidney bean PAP using para-nitrophenol as substrate at pH 4.9 preincubated for 10 mins by UV-visible spectrophotometry


Bioorg Med Chem Lett 21: 3092-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.024
BindingDB Entry DOI: 10.7270/Q21836SM
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50343028
PNG
(CHEMBL1771208 | rac-(Octanamido(naphthalen-1-yl)me...)
Show SMILES CCCCCCCC(=O)NC(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C19H26NO4P/c1-2-3-4-5-6-14-18(21)20-19(25(22,23)24)17-13-9-11-15-10-7-8-12-16(15)17/h7-13,19H,2-6,14H2,1H3,(H,20,21)(H2,22,23,24)
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4.43E+5n/an/an/an/an/an/a4.9n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of red kidney bean PAP using para-nitrophenol as substrate at pH 4.9 preincubated for 10 mins by UV-visible spectrophotometr...


Bioorg Med Chem Lett 21: 3092-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.024
BindingDB Entry DOI: 10.7270/Q21836SM
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50343027
PNG
(CHEMBL1771207 | rac-(Heptanamido(naphthalen-1-yl)m...)
Show SMILES CCCCCCC(=O)NC(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C18H24NO4P/c1-2-3-4-5-13-17(20)19-18(24(21,22)23)16-12-8-10-14-9-6-7-11-15(14)16/h6-12,18H,2-5,13H2,1H3,(H,19,20)(H2,21,22,23)
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4.46E+5n/an/an/an/an/an/a4.9n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of red kidney bean PAP using para-nitrophenol as substrate at pH 4.9 preincubated for 10 mins by UV-visible spectrophotometr...


Bioorg Med Chem Lett 21: 3092-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.024
BindingDB Entry DOI: 10.7270/Q21836SM
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50008089
PNG
(CHEBI:15732 | FOSFONET)
Show SMILES OC(=O)CP(O)(O)=O
Show InChI InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
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5.90E+5n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of red kidney beans purple acid phosphatase


Eur J Med Chem 76: 132-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.008
BindingDB Entry DOI: 10.7270/Q2T43VM0
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50343026
PNG
(CHEMBL1771206 | rac-(Butyramido(naphthalen-1-yl)me...)
Show SMILES CCCC(=O)NC(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C15H18NO4P/c1-2-6-14(17)16-15(21(18,19)20)13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10,15H,2,6H2,1H3,(H,16,17)(H2,18,19,20)
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6.54E+5n/an/an/an/an/an/a4.9n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of red kidney bean PAP using para-nitrophenol as substrate at pH 4.9 preincubated for 10 mins by UV-visible spectrophotometr...


Bioorg Med Chem Lett 21: 3092-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.024
BindingDB Entry DOI: 10.7270/Q21836SM
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM50254498
PNG
((+/-)-hexyloxy(naphthalen-1-yl)methylphosphonic ac...)
Show SMILES CCCCCCOC(c1cccc2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C17H23O4P/c1-2-3-4-7-13-21-17(22(18,19)20)16-12-8-10-14-9-5-6-11-15(14)16/h5-6,8-12,17H,2-4,7,13H2,1H3,(H2,18,19,20)
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1.47E+6n/an/an/an/an/an/a6.2n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of red kidney bean PAP at pH 6.2


Bioorg Med Chem Lett 19: 163-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.125
BindingDB Entry DOI: 10.7270/Q2GQ6XMQ
More data for this
Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase


(Phaseolus vulgaris)
BDBM84557
PNG
(Phosphate analogue, 6)
Show SMILES CCP(O)(O)=O
Show InChI InChI=1S/C2H7O3P/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)
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7.60E+6n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of red kidney beans purple acid phosphatase


Eur J Med Chem 76: 132-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.008
BindingDB Entry DOI: 10.7270/Q2T43VM0
More data for this
Ligand-Target Pair