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Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'demarest' and Initial = 'kd'   
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
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288643
PNG
(CHEMBL106132 | [Phenyl-(2-trifluoromethyl-phenyl)-...)
Show SMILES OP(O)(=O)C(c1ccccc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C14H12F3O3P/c15-14(16,17)12-9-5-4-8-11(12)13(21(18,19)20)10-6-2-1-3-7-10/h1-9,13H,(H2,18,19,20)
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288649
PNG
((1,3-Diphenyl-propyl)-phosphonic acid | CHEMBL1062...)
Show SMILES OP(O)(=O)C(CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H17O3P/c16-19(17,18)15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H2,16,17,18)
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288656
PNG
((Phenyl-m-tolyl-methyl)-phosphonic acid | CHEMBL71...)
Show SMILES Cc1cccc(c1)C(c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C14H15O3P/c1-11-6-5-9-13(10-11)14(18(15,16)17)12-7-3-2-4-8-12/h2-10,14H,1H3,(H2,15,16,17)
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288653
PNG
(CHEMBL104125 | [(3-Chloro-phenyl)-phenyl-methyl]-p...)
Show SMILES OP(O)(=O)C(c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C13H12ClO3P/c14-12-8-4-7-11(9-12)13(18(15,16)17)10-5-2-1-3-6-10/h1-9,13H,(H2,15,16,17)
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288651
PNG
((2-Biphenyl-4-yl-1-phenyl-ethyl)-phosphonic acid |...)
Show SMILES OP(O)(=O)C(Cc1ccc(cc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H19O3P/c21-24(22,23)20(19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-14,20H,15H2,(H2,21,22,23)
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n/an/a 1.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288665
PNG
(CHEMBL322700 | [(3-Nitro-phenyl)-phenyl-methyl]-ph...)
Show SMILES OP(O)(=O)C(c1ccccc1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H12NO5P/c15-14(16)12-8-4-7-11(9-12)13(20(17,18)19)10-5-2-1-3-6-10/h1-9,13H,(H2,17,18,19)
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288666
PNG
((9H-Xanthen-9-yl)-phosphonic acid | CHEMBL106688)
Show SMILES OP(O)(O)=c1c2ccccc2oc2ccccc12
Show InChI InChI=1S/C13H11O4P/c14-18(15,16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,14-16H
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n/an/a 2.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288662
PNG
(CHEMBL320504 | [(2-Chloro-phenyl)-phenyl-methyl]-p...)
Show SMILES OP(O)(=O)C(c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C13H12ClO3P/c14-12-9-5-4-8-11(12)13(18(15,16)17)10-6-2-1-3-7-10/h1-9,13H,(H2,15,16,17)
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n/an/a 3.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288661
PNG
(CHEMBL107858 | [2-Biphenyl-4-yl-1-(3-trifluorometh...)
Show SMILES OP(O)(=O)C(Cc1ccc(cc1)-c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H18F3O3P/c22-21(23,24)19-8-4-7-18(14-19)20(28(25,26)27)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-12,14,20H,13H2,(H2,25,26,27)
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n/an/a 3.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288658
PNG
(CHEMBL107347 | [(4-Methoxy-phenyl)-phenyl-methyl]-...)
Show SMILES COc1ccc(cc1)C(c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C14H15O4P/c1-18-13-9-7-12(8-10-13)14(19(15,16)17)11-5-3-2-4-6-11/h2-10,14H,1H3,(H2,15,16,17)
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n/an/a 3.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288655
PNG
((Phenyl-o-tolyl-methyl)-phosphonic acid | CHEMBL10...)
Show SMILES Cc1ccccc1C(c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C14H15O3P/c1-11-7-5-6-10-13(11)14(18(15,16)17)12-8-3-2-4-9-12/h2-10,14H,1H3,(H2,15,16,17)
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n/an/a 3.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288644
PNG
(CHEMBL104389 | [Phenyl-(4-trifluoromethyl-phenyl)-...)
Show SMILES OP(O)(=O)C(c1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H12F3O3P/c15-14(16,17)12-8-6-11(7-9-12)13(21(18,19)20)10-4-2-1-3-5-10/h1-9,13H,(H2,18,19,20)
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n/an/a 4.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288660
PNG
(CHEMBL107374 | [Phenyl-(3-trifluoromethyl-phenyl)-...)
Show SMILES OP(O)(=O)C(c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H12F3O3P/c15-14(16,17)12-8-4-7-11(9-12)13(21(18,19)20)10-5-2-1-3-6-10/h1-9,13H,(H2,18,19,20)
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n/an/a 6.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288652
PNG
((Biphenyl-4-yl-phenyl-methyl)-phosphonic acid | CH...)
Show SMILES OP(O)(=O)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H17O3P/c20-23(21,22)19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19H,(H2,20,21,22)
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n/an/a 6.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288648
PNG
((Bis-biphenyl-4-yl-methyl)-phosphonic acid | CHEMB...)
Show SMILES OP(O)(=O)C(c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H21O3P/c26-29(27,28)25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,25H,(H2,26,27,28)
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n/an/a 7.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288667
PNG
((3-Trifluoromethyl-benzyl)-phosphonic acid | CHEMB...)
Show SMILES OP(O)(=O)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C8H8F3O3P/c9-8(10,11)7-3-1-2-6(4-7)5-15(12,13)14/h1-4H,5H2,(H2,12,13,14)
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n/an/a 8.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288664
PNG
((1,2-Diphenyl-ethyl)-phosphonic acid | CHEMBL53486)
Show SMILES OP(O)(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H15O3P/c15-18(16,17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,15,16,17)
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n/an/a 8.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288646
PNG
((10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-ph...)
Show SMILES OP(O)(=O)C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C15H15O3P/c16-19(17,18)15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H2,16,17,18)
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n/an/a 9.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288650
PNG
(CHEMBL107540 | [2-Phenyl-1-(3-trifluoromethyl-phen...)
Show SMILES OP(O)(=O)C(Cc1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H14F3O3P/c16-15(17,18)13-8-4-7-12(10-13)14(22(19,20)21)9-11-5-2-1-3-6-11/h1-8,10,14H,9H2,(H2,19,20,21)
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288657
PNG
((5H-Dibenzo[a,d]cyclohepten-5-yl)-phosphonic acid ...)
Show SMILES OP(O)(O)=c1c2ccccc2ccc2ccccc12
Show InChI InChI=1S/C15H13O3P/c16-19(17,18)15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,16-18H
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288663
PNG
((9H-Thioxanthen-9-yl)-phosphonic acid | CHEMBL1043...)
Show SMILES OP(O)(O)=c1c2ccccc2sc2ccccc12
Show InChI InChI=1S/C13H11O3PS/c14-17(15,16)13-9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)13/h1-8,14-16H
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288647
PNG
(Benzhydryl-phosphonic acid | CHEMBL106165)
Show SMILES OP(O)(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C13H13O3P/c14-17(15,16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,14,15,16)
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n/an/a 1.42E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288654
PNG
(CHEMBL107348 | [(4-Chloro-phenyl)-phenyl-methyl]-p...)
Show SMILES OP(O)(=O)C(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H12ClO3P/c14-12-8-6-11(7-9-12)13(18(15,16)17)10-4-2-1-3-5-10/h1-9,13H,(H2,15,16,17)
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n/an/a 1.43E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288659
PNG
((Phenyl-p-tolyl-methyl)-phosphonic acid | CHEMBL10...)
Show SMILES Cc1ccc(cc1)C(c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C14H15O3P/c1-11-7-9-13(10-8-11)14(18(15,16)17)12-5-3-2-4-6-12/h2-10,14H,1H3,(H2,15,16,17)
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n/an/a 1.52E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50288645
PNG
((9H-Fluoren-9-yl)-phosphonic acid | CHEMBL105772)
Show SMILES OP(O)(=O)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C13H11O3P/c14-17(15,16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H2,14,15,16)
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n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair
Prostatic acid phosphatase


(Homo sapiens (Human))
BDBM50080274
PNG
(Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...)
Show SMILES OP(O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
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Article
n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate


Bioorg Med Chem Lett 6: 311-314 (1996)


Article DOI: 10.1016/0960-894X(96)00018-2
BindingDB Entry DOI: 10.7270/Q21R6QGR
More data for this
Ligand-Target Pair