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Compile Data Set for Download or QSAR

Found 1982 hits with Last Name = 'pandey' and Initial = 'a'   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50193861
PNG
(5-chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N,N-dimet...)
Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H19Cl2N5O2/c1-29(2)20(25)13-3-5-14(6-4-13)21(30)27-18-9-7-15(23)11-17(18)22(31)28-19-10-8-16(24)12-26-19/h3-12,25H,1-2H3,(H,27,30)(H,26,28,31)
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0.0440n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50249120
PNG
(CHEMBL472967 | N-(4-chloro-2-(5-chloropyridin-2-yl...)
Show SMILES CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
Show InChI InChI=1S/C22H18Cl2FN5O2/c1-30(2)20(26)12-3-6-15(17(25)9-12)21(31)28-18-7-4-13(23)10-16(18)22(32)29-19-8-5-14(24)11-27-19/h3-11,26H,1-2H3,(H,28,31)(H,27,29,32)
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0.0600n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19023
PNG
(1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-y...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
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0.0800n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50249423
PNG
(CHEMBL515919 | N-(2-(5-chloropyridin-2-ylcarbamoyl...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2F)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H21ClFN5O3/c1-30(2)21(26)13-4-7-16(18(25)10-13)22(31)28-19-8-6-15(33-3)11-17(19)23(32)29-20-9-5-14(24)12-27-20/h4-12,26H,1-3H3,(H,28,31)(H,27,29,32)
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0.105n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50249298
PNG
(BEVYXXA | CHEMBL512351 | N-(5-chloropyridin-2-yl)-...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
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0.117n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM7840
PNG
(RIVAROXABAN | US8822458, 44 | US8822458, 97)
Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
Show InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50249295
PNG
(CHEMBL471725 | N-(5-chloropyridin-2-yl)-2-(4-(N,N-...)
Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H20ClN5O2/c1-28(2)20(24)14-7-9-15(10-8-14)21(29)26-18-6-4-3-5-17(18)22(30)27-19-12-11-16(23)13-25-19/h3-13,24H,1-2H3,(H,26,29)(H,25,27,30)
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1.40n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50193861
PNG
(5-chloro-N-(5-chloro-pyridin-2-yl)-2-[4-(N,N-dimet...)
Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C22H19Cl2N5O2/c1-29(2)20(25)13-3-5-14(6-4-13)21(30)27-18-9-7-15(23)11-17(18)22(31)28-19-10-8-16(24)12-26-19/h3-12,25H,1-2H3,(H,27,30)(H,26,28,31)
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110n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50193849
PNG
(CHEMBL219106 | N-(2-(5-chloropyridin-2-ylcarbamoyl...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2N2CCCCC2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C28H31ClN6O3/c1-34(2)26(30)18-7-10-21(24(15-18)35-13-5-4-6-14-35)27(36)32-23-11-9-20(38-3)16-22(23)28(37)33-25-12-8-19(29)17-31-25/h7-12,15-17,30H,4-6,13-14H2,1-3H3,(H,32,36)(H,31,33,37)
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200n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50249120
PNG
(CHEMBL472967 | N-(4-chloro-2-(5-chloropyridin-2-yl...)
Show SMILES CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
Show InChI InChI=1S/C22H18Cl2FN5O2/c1-30(2)20(26)12-3-6-15(17(25)9-12)21(31)28-18-7-4-13(23)10-16(18)22(32)29-19-8-5-14(24)11-27-19/h3-11,26H,1-2H3,(H,28,31)(H,27,29,32)
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420n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50249298
PNG
(BEVYXXA | CHEMBL512351 | N-(5-chloropyridin-2-yl)-...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
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1.80E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50249423
PNG
(CHEMBL515919 | N-(2-(5-chloropyridin-2-ylcarbamoyl...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2F)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H21ClFN5O3/c1-30(2)21(26)13-4-7-16(18(25)10-13)22(31)28-19-8-6-15(33-3)11-17(19)23(32)29-20-9-5-14(24)12-27-20/h4-12,26H,1-3H3,(H,28,31)(H,27,29,32)
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2.10E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50193842
PNG
(1-(2-(2-(5-chloropyridin-2-ylcarbamoyl)-4-methoxyp...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2N2CCC(CC2)C(O)=O)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C29H31ClN6O5/c1-35(2)26(31)18-4-7-21(24(14-18)36-12-10-17(11-13-36)29(39)40)27(37)33-23-8-6-20(41-3)15-22(23)28(38)34-25-9-5-19(30)16-32-25/h4-9,14-17,31H,10-13H2,1-3H3,(H,33,37)(H,39,40)(H,32,34,38)
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>1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50193850
PNG
(2-(3-(5-chloropyridin-2-ylcarbamoyl)-4-(4-(N,N-dim...)
Show SMILES CN(C)C(=N)c1ccc(cc1)C(=O)Nc1ccc(OCC(O)=O)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C24H22ClN5O5/c1-30(2)22(26)14-3-5-15(6-4-14)23(33)28-19-9-8-17(35-13-21(31)32)11-18(19)24(34)29-20-10-7-16(25)12-27-20/h3-12,26H,13H2,1-2H3,(H,28,33)(H,31,32)(H,27,29,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50131871
PNG
(CHEMBL122097 | Methylsulfanylmethyl-phosphonothioi...)
Show SMILES CSCP(O)(O)=S
Show InChI InChI=1S/C2H7O2PS2/c1-7-2-5(3,4)6/h2H2,1H3,(H2,3,4,6)
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4.00E+4n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131868
PNG
(7-Phosphonomethyl-naphthalene-1-carboxylic acid | ...)
Show SMILES OC(=O)c1cccc2ccc(CP(O)(O)=O)cc12
Show InChI InChI=1S/C12H11O5P/c13-12(14)10-3-1-2-9-5-4-8(6-11(9)10)7-18(15,16)17/h1-6H,7H2,(H,13,14)(H2,15,16,17)
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1.30E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131866
PNG
(7-Thiophosphonomethyl-naphthalene-1-carboxylic aci...)
Show SMILES OC(=O)c1cccc2ccc(CP(O)(O)=S)cc12
Show InChI InChI=1S/C12H11O4PS/c13-12(14)10-3-1-2-9-5-4-8(6-11(9)10)7-17(15,16)18/h1-6H,7H2,(H,13,14)(H2,15,16,18)
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1.70E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein


(Homo sapiens (Human))
BDBM50131866
PNG
(7-Thiophosphonomethyl-naphthalene-1-carboxylic aci...)
Show SMILES OC(=O)c1cccc2ccc(CP(O)(O)=S)cc12
Show InChI InChI=1S/C12H11O4PS/c13-12(14)10-3-1-2-9-5-4-8(6-11(9)10)7-17(15,16)18/h1-6H,7H2,(H,13,14)(H2,15,16,18)
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2.00E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Tyrosine phosphatase from Yersinia (Yop protein)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50131861
PNG
(Benzyl-phosphonothioic acid | CHEMBL123163)
Show SMILES OP(O)(=S)Cc1ccccc1
Show InChI InChI=1S/C7H9O2PS/c8-10(9,11)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,11)
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2.00E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase tissue-nonspecific


(Rattus norvegicus)
BDBM50131868
PNG
(7-Phosphonomethyl-naphthalene-1-carboxylic acid | ...)
Show SMILES OC(=O)c1cccc2ccc(CP(O)(O)=O)cc12
Show InChI InChI=1S/C12H11O5P/c13-12(14)10-3-1-2-9-5-4-8(6-11(9)10)7-18(15,16)17/h1-6H,7H2,(H,13,14)(H2,15,16,17)
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3.00E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against E. coli Alkaline Phosphatase


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50131865
PNG
(6-Thiophosphono-hexanoic acid methyl ester | CHEMB...)
Show SMILES COC(=O)CCCCCP(O)(O)=S
Show InChI InChI=1S/C7H15O4PS/c1-11-7(8)5-3-2-4-6-12(9,10)13/h2-6H2,1H3,(H2,9,10,13)
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3.30E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50131868
PNG
(7-Phosphonomethyl-naphthalene-1-carboxylic acid | ...)
Show SMILES OC(=O)c1cccc2ccc(CP(O)(O)=O)cc12
Show InChI InChI=1S/C12H11O5P/c13-12(14)10-3-1-2-9-5-4-8(6-11(9)10)7-18(15,16)17/h1-6H,7H2,(H,13,14)(H2,15,16,17)
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3.90E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131860
PNG
(6-Phosphono-hexanoic acid | CHEMBL122539)
Show SMILES OC(=O)CCCCCP(O)(O)=O
Show InChI InChI=1S/C6H13O5P/c7-6(8)4-2-1-3-5-12(9,10)11/h1-5H2,(H,7,8)(H2,9,10,11)
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4.30E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50131863
PNG
(CHEMBL331460 | Phenylsulfanylmethyl-phosphonothioi...)
Show SMILES OP(O)(=S)CSc1ccccc1
Show InChI InChI=1S/C7H9O2PS2/c8-10(9,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,11)
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4.60E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131863
PNG
(CHEMBL331460 | Phenylsulfanylmethyl-phosphonothioi...)
Show SMILES OP(O)(=S)CSc1ccccc1
Show InChI InChI=1S/C7H9O2PS2/c8-10(9,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,11)
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4.70E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131861
PNG
(Benzyl-phosphonothioic acid | CHEMBL123163)
Show SMILES OP(O)(=S)Cc1ccccc1
Show InChI InChI=1S/C7H9O2PS/c8-10(9,11)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,11)
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5.70E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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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5.80E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50131870
PNG
(Butyl-phosphonothioic acid | CHEMBL331046)
Show SMILES CCCCP(O)(O)=S
Show InChI InChI=1S/C4H11O2PS/c1-2-3-4-7(5,6)8/h2-4H2,1H3,(H2,5,6,8)
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6.00E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase tissue-nonspecific


(Rattus norvegicus)
BDBM50131864
PNG
(CHEMBL125296 | Propyl-phosphonic acid)
Show SMILES CCCP(O)(O)=O
Show InChI InChI=1S/C3H9O3P/c1-2-3-7(4,5)6/h2-3H2,1H3,(H2,4,5,6)
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6.10E+5n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against E. coli Alkaline Phosphatase


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131862
PNG
(CHEMBL122938 | methylphosphonic acid)
Show SMILES CP(O)(O)=O
Show InChI InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
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1.01E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131865
PNG
(6-Thiophosphono-hexanoic acid methyl ester | CHEMB...)
Show SMILES COC(=O)CCCCCP(O)(O)=S
Show InChI InChI=1S/C7H15O4PS/c1-11-7(8)5-3-2-4-6-12(9,10)13/h2-6H2,1H3,(H2,9,10,13)
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1.10E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131871
PNG
(CHEMBL122097 | Methylsulfanylmethyl-phosphonothioi...)
Show SMILES CSCP(O)(O)=S
Show InChI InChI=1S/C2H7O2PS2/c1-7-2-5(3,4)6/h2H2,1H3,(H2,3,4,6)
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1.20E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131867
PNG
(6-Thiophosphono-hexanoic acid | CHEMBL123990)
Show SMILES OC(=O)CCCCCP(O)(O)=S
Show InChI InChI=1S/C6H13O4PS/c7-6(8)4-2-1-3-5-11(9,10)12/h1-5H2,(H,7,8)(H2,9,10,12)
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1.50E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50131867
PNG
(6-Thiophosphono-hexanoic acid | CHEMBL123990)
Show SMILES OC(=O)CCCCCP(O)(O)=S
Show InChI InChI=1S/C6H13O4PS/c7-6(8)4-2-1-3-5-11(9,10)12/h1-5H2,(H,7,8)(H2,9,10,12)
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1.50E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50131866
PNG
(7-Thiophosphonomethyl-naphthalene-1-carboxylic aci...)
Show SMILES OC(=O)c1cccc2ccc(CP(O)(O)=S)cc12
Show InChI InChI=1S/C12H11O4PS/c13-12(14)10-3-1-2-9-5-4-8(6-11(9)10)7-17(15,16)18/h1-6H,7H2,(H,13,14)(H2,15,16,18)
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1.50E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50131864
PNG
(CHEMBL125296 | Propyl-phosphonic acid)
Show SMILES CCCP(O)(O)=O
Show InChI InChI=1S/C3H9O3P/c1-2-3-7(4,5)6/h2-3H2,1H3,(H2,4,5,6)
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1.55E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50131860
PNG
(6-Phosphono-hexanoic acid | CHEMBL122539)
Show SMILES OC(=O)CCCCCP(O)(O)=O
Show InChI InChI=1S/C6H13O5P/c7-6(8)4-2-1-3-5-12(9,10)11/h1-5H2,(H,7,8)(H2,9,10,11)
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7.00E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein


(Homo sapiens (Human))
BDBM50131869
PNG
(CHEMBL122577 | Methyl-phosphonothioic acid)
Show SMILES CP(O)(O)=S
Show InChI InChI=1S/CH5O2PS/c1-4(2,3)5/h1H3,(H2,2,3,5)
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7.00E+6n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Tyrosine phosphatase from Yersinia (Yop protein)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50131862
PNG
(CHEMBL122938 | methylphosphonic acid)
Show SMILES CP(O)(O)=O
Show InChI InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
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1.10E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein


(Homo sapiens (Human))
BDBM50131863
PNG
(CHEMBL331460 | Phenylsulfanylmethyl-phosphonothioi...)
Show SMILES OP(O)(=S)CSc1ccccc1
Show InChI InChI=1S/C7H9O2PS2/c8-10(9,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,11)
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1.58E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Tyrosine phosphatase from Yersinia (Yop protein)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131869
PNG
(CHEMBL122577 | Methyl-phosphonothioic acid)
Show SMILES CP(O)(O)=S
Show InChI InChI=1S/CH5O2PS/c1-4(2,3)5/h1H3,(H2,2,3,5)
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1.70E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50131869
PNG
(CHEMBL122577 | Methyl-phosphonothioic acid)
Show SMILES CP(O)(O)=S
Show InChI InChI=1S/CH5O2PS/c1-4(2,3)5/h1H3,(H2,2,3,5)
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1.90E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibition of Human Placental alkaline Phosphatase (PLAP)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Enterobacteria phage lambda)
BDBM50131870
PNG
(Butyl-phosphonothioic acid | CHEMBL331046)
Show SMILES CCCCP(O)(O)=S
Show InChI InChI=1S/C4H11O2PS/c1-2-3-4-7(5,6)8/h2-4H2,1H3,(H2,5,6,8)
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2.00E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Serine/Threonine Protein Phosphatase (Lamda protein phosphatase)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein


(Homo sapiens (Human))
BDBM50131867
PNG
(6-Thiophosphono-hexanoic acid | CHEMBL123990)
Show SMILES OC(=O)CCCCCP(O)(O)=S
Show InChI InChI=1S/C6H13O4PS/c7-6(8)4-2-1-3-5-11(9,10)12/h1-5H2,(H,7,8)(H2,9,10,12)
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UniChem
Article
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2.90E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Tyrosine phosphatase from Yersinia (Yop protein)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein


(Homo sapiens (Human))
BDBM50131862
PNG
(CHEMBL122938 | methylphosphonic acid)
Show SMILES CP(O)(O)=O
Show InChI InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
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3.00E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Tyrosine phosphatase from Yersinia (Yop protein)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase receptor type C-associated protein


(Homo sapiens (Human))
BDBM50131860
PNG
(6-Phosphono-hexanoic acid | CHEMBL122539)
Show SMILES OC(=O)CCCCCP(O)(O)=O
Show InChI InChI=1S/C6H13O5P/c7-6(8)4-2-1-3-5-12(9,10)11/h1-5H2,(H,7,8)(H2,9,10,11)
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4.20E+7n/an/an/an/an/an/an/an/a



Utah State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Tyrosine phosphatase from Yersinia (Yop protein)


J Med Chem 46: 3703-8 (2003)


Article DOI: 10.1021/jm030106f
BindingDB Entry DOI: 10.7270/Q2MG7NXN
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.0800n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition Protein kinase C (PKC)


J Med Chem 45: 3772-93 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7JD9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50249166
PNG
(2-(azetidin-1-yl)-N-(4-chloro-2-(5-chloropyridin-2...)
Show SMILES CN(C)C(=N)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(c1)N1CCC1
Show InChI InChI=1S/C25H24Cl2N6O2/c1-32(2)23(28)15-4-7-18(21(12-15)33-10-3-11-33)24(34)30-20-8-5-16(26)13-19(20)25(35)31-22-9-6-17(27)14-29-22/h4-9,12-14,28H,3,10-11H2,1-2H3,(H,30,34)(H,29,31,35)
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n/an/a 0.400n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Factor 10a (unknown origin)


Bioorg Med Chem Lett 19: 2179-85 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.111
BindingDB Entry DOI: 10.7270/Q22Z15F5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50117334
PNG
(4-[6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-pip...)
Show SMILES COCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)c2cc1OCCOC
Show InChI InChI=1S/C35H37N5O6/c1-42-17-19-44-32-22-30-31(23-33(32)45-20-18-43-2)36-24-37-34(30)39-13-15-40(16-14-39)35(41)38-27-8-11-28(12-9-27)46-29-10-7-25-5-3-4-6-26(25)21-29/h3-12,21-24H,13-20H2,1-2H3,(H,38,41)
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n/an/a 0.400n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma


J Med Chem 45: 3772-93 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7JD9
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50117342
PNG
(4-[6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-pip...)
Show SMILES COCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4cccc5cnccc45)cc3)c2cc1OCCOC
Show InChI InChI=1S/C34H36N6O6/c1-42-16-18-44-31-20-28-29(21-32(31)45-19-17-43-2)36-23-37-33(28)39-12-14-40(15-13-39)34(41)38-25-6-8-26(9-7-25)46-30-5-3-4-24-22-35-11-10-27(24)30/h3-11,20-23H,12-19H2,1-2H3,(H,38,41)
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n/an/a 0.400n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma


J Med Chem 45: 3772-93 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7JD9
More data for this
Ligand-Target Pair
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