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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with Target = 'Scavenger mRNA-decapping enzyme (DcpS)'   
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
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50232538
PNG
(5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1
Show InChI InChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)
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n/an/a 7.62n/a 4n/an/an/an/a



deCODE Chemistry Inc



Assay Description
In vitro biochemical assay using scavenger decapping enzyme (DcpS) as a target and cell based assay using SMN2 b-lactamase NSC-34 cell reporter gene.


ACS Chem Biol 3: 711-22 (2008)


Article DOI: 10.1021/cb800120t
BindingDB Entry DOI: 10.7270/Q2Z036HN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM36530
PNG
(D157493)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4cccc(Cl)c4Cl)CC3)cccc2n1
Show InChI InChI=1S/C21H23Cl2N5O/c22-15-4-1-3-14(19(15)23)11-28-9-7-13(8-10-28)12-29-17-6-2-5-16-18(17)20(24)27-21(25)26-16/h1-6,13H,7-12H2,(H4,24,25,26,27)
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n/an/a 43.9n/a 67n/an/an/an/a



deCODE Chemistry Inc



Assay Description
In vitro biochemical assay using scavenger decapping enzyme (DcpS) as a target and cell based assay using SMN2 b-lactamase NSC-34 cell reporter gene.


ACS Chem Biol 3: 711-22 (2008)


Article DOI: 10.1021/cb800120t
BindingDB Entry DOI: 10.7270/Q2Z036HN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM36534
PNG
(D156095)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1
Show InChI InChI=1S/C21H23Cl2N5O/c22-15-5-4-14(10-16(15)23)11-28-8-6-13(7-9-28)12-29-18-3-1-2-17-19(18)20(24)27-21(25)26-17/h1-5,10,13H,6-9,11-12H2,(H4,24,25,26,27)
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n/an/an/an/a 104n/an/an/an/a



deCODE Chemistry Inc



Assay Description
In vitro biochemical assay using scavenger decapping enzyme (DcpS) as a target and cell based assay using SMN2 b-lactamase NSC-34 cell reporter gene.


ACS Chem Biol 3: 711-22 (2008)


Article DOI: 10.1021/cb800120t
BindingDB Entry DOI: 10.7270/Q2Z036HN
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM36533
PNG
(D157555)
Show SMILES Cn1ccnc1CN1CCC(COc2cccc3nc(N)nc(N)c23)CC1
Show InChI InChI=1S/C19H25N7O/c1-25-10-7-22-16(25)11-26-8-5-13(6-9-26)12-27-15-4-2-3-14-17(15)18(20)24-19(21)23-14/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3,(H4,20,21,23,24)
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n/an/a 9.38n/a 108n/an/an/an/a



deCODE Chemistry Inc



Assay Description
In vitro biochemical assay using scavenger decapping enzyme (DcpS) as a target and cell based assay using SMN2 b-lactamase NSC-34 cell reporter gene.


ACS Chem Biol 3: 711-22 (2008)


Article DOI: 10.1021/cb800120t
BindingDB Entry DOI: 10.7270/Q2Z036HN
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM36531
PNG
(D158963)
Show SMILES Nc1nc(N)c2c(OCC3CCN(CC(F)(F)F)CC3)cccc2n1
Show InChI InChI=1S/C16H20F3N5O/c17-16(18,19)9-24-6-4-10(5-7-24)8-25-12-3-1-2-11-13(12)14(20)23-15(21)22-11/h1-3,10H,4-9H2,(H4,20,21,22,23)
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n/an/a 23.4n/a 223n/an/an/an/a



deCODE Chemistry Inc



Assay Description
In vitro biochemical assay using scavenger decapping enzyme (DcpS) as a target and cell based assay using SMN2 b-lactamase NSC-34 cell reporter gene.


ACS Chem Biol 3: 711-22 (2008)


Article DOI: 10.1021/cb800120t
BindingDB Entry DOI: 10.7270/Q2Z036HN
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM36536
PNG
(D153215)
Show SMILES Nc1nc(N)c2c(COc3ccccc3I)cccc2n1
Show InChI InChI=1S/C15H13IN4O/c16-10-5-1-2-7-12(10)21-8-9-4-3-6-11-13(9)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)
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n/an/an/an/a 243n/an/an/an/a



deCODE Chemistry Inc



Assay Description
In vitro biochemical assay using scavenger decapping enzyme (DcpS) as a target and cell based assay using SMN2 b-lactamase NSC-34 cell reporter gene.


ACS Chem Biol 3: 711-22 (2008)


Article DOI: 10.1021/cb800120t
BindingDB Entry DOI: 10.7270/Q2Z036HN
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM36532
PNG
(D158885)
Show SMILES Nc1nc(N)c2c(OCC3CCN(CC3)c3ccccc3Cl)cccc2n1
Show InChI InChI=1S/C20H22ClN5O/c21-14-4-1-2-6-16(14)26-10-8-13(9-11-26)12-27-17-7-3-5-15-18(17)19(22)25-20(23)24-15/h1-7,13H,8-12H2,(H4,22,23,24,25)
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n/an/a 101n/a 795n/an/an/an/a



deCODE Chemistry Inc



Assay Description
In vitro biochemical assay using scavenger decapping enzyme (DcpS) as a target and cell based assay using SMN2 b-lactamase NSC-34 cell reporter gene.


ACS Chem Biol 3: 711-22 (2008)


Article DOI: 10.1021/cb800120t
BindingDB Entry DOI: 10.7270/Q2Z036HN
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM36535
PNG
(D157554)
Show SMILES Nc1nc(N)c2c(OCC3CCN(CC4CCNCC4)CC3)cccc2n1
Show InChI InChI=1S/C20H30N6O/c21-19-18-16(24-20(22)25-19)2-1-3-17(18)27-13-15-6-10-26(11-7-15)12-14-4-8-23-9-5-14/h1-3,14-15,23H,4-13H2,(H4,21,22,24,25)
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n/an/an/an/a 921n/an/an/an/a



deCODE Chemistry Inc



Assay Description
In vitro biochemical assay using scavenger decapping enzyme (DcpS) as a target and cell based assay using SMN2 b-lactamase NSC-34 cell reporter gene.


ACS Chem Biol 3: 711-22 (2008)


Article DOI: 10.1021/cb800120t
BindingDB Entry DOI: 10.7270/Q2Z036HN
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM36529
PNG
(D156676)
Show SMILES CC(=O)Nc1nc(CN2CCC(COc3cccc4nc(N)nc(N)c34)CC2)cs1
Show InChI InChI=1S/C20H25N7O2S/c1-12(28)23-20-24-14(11-30-20)9-27-7-5-13(6-8-27)10-29-16-4-2-3-15-17(16)18(21)26-19(22)25-15/h2-4,11,13H,5-10H2,1H3,(H,23,24,28)(H4,21,22,25,26)
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n/an/a 339n/a 2.54E+3n/an/an/an/a



deCODE Chemistry Inc



Assay Description
In vitro biochemical assay using scavenger decapping enzyme (DcpS) as a target and cell based assay using SMN2 b-lactamase NSC-34 cell reporter gene.


ACS Chem Biol 3: 711-22 (2008)


Article DOI: 10.1021/cb800120t
BindingDB Entry DOI: 10.7270/Q2Z036HN
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237219
PNG
(CHEMBL4093512)
Show SMILES Cc1cc(OCC2CCN(Cc3c(Cl)cccc3Cl)CC2)c2c(N)nc(N)nc2c1
Show InChI InChI=1S/C22H25Cl2N5O/c1-13-9-18-20(21(25)28-22(26)27-18)19(10-13)30-12-14-5-7-29(8-6-14)11-15-16(23)3-2-4-17(15)24/h2-4,9-10,14H,5-8,11-12H2,1H3,(H4,25,26,27,28)
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n/an/a 334n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237206
PNG
(CHEMBL4075292)
Show SMILES CC1(COc2cccc3nc(N)nc(N)c23)COC1
Show InChI InChI=1S/C13H16N4O2/c1-13(5-18-6-13)7-19-9-4-2-3-8-10(9)11(14)17-12(15)16-8/h2-4H,5-7H2,1H3,(H4,14,15,16,17)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237208
PNG
(CHEMBL4090641)
Show SMILES COC[C@@H](C)Oc1cccc2nc(N)nc(N)c12
Show InChI InChI=1/C12H16N4O2/c1-7(6-17-2)18-9-5-3-4-8-10(9)11(13)16-12(14)15-8/h3-5,7H,6H2,1-2H3,(H4,13,14,15,16)/t7-/s2
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237198
PNG
(CHEMBL4068466)
Show SMILES Nc1nc(N)c2c(OCC3CCOCC3)cccc2n1
Show InChI InChI=1S/C14H18N4O2/c15-13-12-10(17-14(16)18-13)2-1-3-11(12)20-8-9-4-6-19-7-5-9/h1-3,9H,4-8H2,(H4,15,16,17,18)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50232534
PNG
(5-((2-fluorophenoxy)methyl)quinazoline-2,4-diamine...)
Show SMILES Nc1nc(N)c2c(COc3ccccc3F)cccc2n1
Show InChI InChI=1S/C15H13FN4O/c16-10-5-1-2-7-12(10)21-8-9-4-3-6-11-13(9)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)
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n/an/a 0.0200n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237209
PNG
(CHEMBL4062544)
Show SMILES Nc1nc(N)c2c(COc3cccc(F)c3)cccc2n1
Show InChI InChI=1S/C15H13FN4O/c16-10-4-2-5-11(7-10)21-8-9-3-1-6-12-13(9)14(17)20-15(18)19-12/h1-7H,8H2,(H4,17,18,19,20)
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n/an/a 0.25n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237210
PNG
(CHEMBL399673)
Show SMILES Nc1nc(N)c2c(COc3ccccc3Cl)cccc2n1
Show InChI InChI=1S/C15H13ClN4O/c16-10-5-1-2-7-12(10)21-8-9-4-3-6-11-13(9)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)
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n/an/a 0.290n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50232526
PNG
(5-((2,4-difluorophenoxy)methyl)quinazoline-2,4-dia...)
Show SMILES Nc1nc(N)c2c(COc3ccc(F)cc3F)cccc2n1
Show InChI InChI=1S/C15H12F2N4O/c16-9-4-5-12(10(17)6-9)22-7-8-2-1-3-11-13(8)14(18)21-15(19)20-11/h1-6H,7H2,(H4,18,19,20,21)
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n/an/a 0.0200n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237199
PNG
(CHEMBL4077061)
Show SMILES Nc1nc(N)c2c(COc3cc(F)cc(c3)C#N)cccc2n1
Show InChI InChI=1S/C16H12FN5O/c17-11-4-9(7-18)5-12(6-11)23-8-10-2-1-3-13-14(10)15(19)22-16(20)21-13/h1-6H,8H2,(H4,19,20,21,22)
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n/an/a 0.110n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237211
PNG
(CHEMBL4061457)
Show SMILES Cc1ncccc1OCc1cccc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15N5O/c1-9-12(6-3-7-18-9)21-8-10-4-2-5-11-13(10)14(16)20-15(17)19-11/h2-7H,8H2,1H3,(H4,16,17,19,20)
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n/an/a 0.270n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237212
PNG
(CHEMBL4100442)
Show SMILES Cc1cc(OCC2CCN(Cc3ccccc3F)CC2)c2c(N)nc(N)nc2c1
Show InChI InChI=1S/C22H26FN5O/c1-14-10-18-20(21(24)27-22(25)26-18)19(11-14)29-13-15-6-8-28(9-7-15)12-16-4-2-3-5-17(16)23/h2-5,10-11,15H,6-9,12-13H2,1H3,(H4,24,25,26,27)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237213
PNG
(CHEMBL4102384)
Show SMILES Cc1cc(COc2cc(F)cc(c2)C#N)c2c(N)nc(N)nc2c1
Show InChI InChI=1S/C17H14FN5O/c1-9-2-11(15-14(3-9)22-17(21)23-16(15)20)8-24-13-5-10(7-19)4-12(18)6-13/h2-6H,8H2,1H3,(H4,20,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237215
PNG
(CHEMBL4075512)
Show SMILES Cc1cc(OCC2CCOCC2)c2c(N)nc(N)nc2c1
Show InChI InChI=1S/C15H20N4O2/c1-9-6-11-13(14(16)19-15(17)18-11)12(7-9)21-8-10-2-4-20-5-3-10/h6-7,10H,2-5,8H2,1H3,(H4,16,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237216
PNG
(CHEMBL4080254)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4)CC3)cccc2n1
Show InChI InChI=1S/C21H25N5O/c22-20-19-17(24-21(23)25-20)7-4-8-18(19)27-14-16-9-11-26(12-10-16)13-15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H4,22,23,24,25)
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n/an/a 0.0300n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM36530
PNG
(D157493)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4cccc(Cl)c4Cl)CC3)cccc2n1
Show InChI InChI=1S/C21H23Cl2N5O/c22-15-4-1-3-14(19(15)23)11-28-9-7-13(8-10-28)12-29-17-6-2-5-16-18(17)20(24)27-21(25)26-16/h1-6,13H,7-12H2,(H4,24,25,26,27)
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n/an/a 0.0800n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT3 receptor in rat was evaluated


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237217
PNG
(CHEMBL342595)
Show SMILES Nc1nc(N)c2c(OCc3ccccc3)cccc2n1
Show InChI InChI=1S/C15H14N4O/c16-14-13-11(18-15(17)19-14)7-4-8-12(13)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H4,16,17,18,19)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 3 receptor was evaluated


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237214
PNG
(CHEMBL4084161)
Show SMILES COC[C@H](C)Oc1cccc2nc(N)nc(N)c12
Show InChI InChI=1/C12H16N4O2/c1-7(6-17-2)18-9-5-3-4-8-10(9)11(13)16-12(14)15-8/h3-5,7H,6H2,1-2H3,(H4,13,14,15,16)/t7-/s2
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT3 receptor in rat was evaluated


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237218
PNG
(CHEMBL4072481)
Show SMILES Nc1nc(N)c2c(COC3CCOCC3)cccc2n1
Show InChI InChI=1S/C14H18N4O2/c15-13-12-9(8-20-10-4-6-19-7-5-10)2-1-3-11(12)17-14(16)18-13/h1-3,10H,4-8H2,(H4,15,16,17,18)
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n/an/a 2.30n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50232589
PNG
(5-((3-chlorophenoxy)methyl)quinazoline-2,4-diamine...)
Show SMILES Nc1nc(N)c2c(COc3cccc(Cl)c3)cccc2n1
Show InChI InChI=1S/C15H13ClN4O/c16-10-4-2-5-11(7-10)21-8-9-3-1-6-12-13(9)14(17)20-15(18)19-12/h1-7H,8H2,(H4,17,18,19,20)
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n/an/a 0.0500n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50232566
PNG
(5-(3-chlorobenzyloxy)quinazoline-2,4-diamine | CHE...)
Show SMILES Nc1nc(N)c2c(OCc3cccc(Cl)c3)cccc2n1
Show InChI InChI=1S/C15H13ClN4O/c16-10-4-1-3-9(7-10)8-21-12-6-2-5-11-13(12)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237204
PNG
(CHEMBL343543)
Show SMILES COc1cccc2nc(N)nc(N)c12
Show InChI InChI=1S/C9H10N4O/c1-14-6-4-2-3-5-7(6)8(10)13-9(11)12-5/h2-4H,1H3,(H4,10,11,12,13)
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n/an/a 7.90n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM14323
PNG
(Fragment 20 | quinazoline-2,4-diamine)
Show SMILES Nc1nc(N)c2ccccc2n1
Show InChI InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)
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n/an/a 143n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of acetylcholinesterase


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM36534
PNG
(D156095)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1
Show InChI InChI=1S/C21H23Cl2N5O/c22-15-5-4-14(10-16(15)23)11-28-8-6-13(7-9-28)12-29-18-3-1-2-17-19(18)20(24)27-21(25)26-17/h1-5,10,13H,6-9,11-12H2,(H4,24,25,26,27)
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n/an/a 0.320n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237203
PNG
(CHEMBL250072)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4Cl)CC3)cccc2n1
Show InChI InChI=1S/C21H24ClN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)
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n/an/a 0.110n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237202
PNG
(CHEMBL4103454)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4OC(F)(F)F)CC3)cccc2n1
Show InChI InChI=1S/C22H24F3N5O2/c23-22(24,25)32-17-6-2-1-4-15(17)12-30-10-8-14(9-11-30)13-31-18-7-3-5-16-19(18)20(26)29-21(27)28-16/h1-7,14H,8-13H2,(H4,26,27,28,29)
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237201
PNG
(CHEMBL4082618)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4c(F)cccc4Cl)CC3)cccc2n1
Show InChI InChI=1S/C21H23ClFN5O/c22-15-3-1-4-16(23)14(15)11-28-9-7-13(8-10-28)12-29-18-6-2-5-17-19(18)20(24)27-21(25)26-17/h1-6,13H,7-12H2,(H4,24,25,26,27)
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n/an/a 0.0400n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50232538
PNG
(5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1
Show InChI InChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)
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n/an/a 0.0300n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237200
PNG
(CHEMBL4072132)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1
Show InChI InChI=1S/C21H23Cl2N5O/c22-15-3-1-4-16(23)14(15)11-28-9-7-13(8-10-28)12-29-18-6-2-5-17-19(18)20(24)27-21(25)26-17/h1-6,13H,7-12H2,(H4,24,25,26,27)
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n/an/a 0.0690n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237205
PNG
(CHEMBL398675)
Show SMILES Nc1nc(N)c2c(OCc3cc(F)cc(F)c3)cccc2n1
Show InChI InChI=1S/C15H12F2N4O/c16-9-4-8(5-10(17)6-9)7-22-12-3-1-2-11-13(12)14(18)21-15(19)20-11/h1-6H,7H2,(H4,18,19,20,21)
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n/an/a 0.190n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human DcpS assessed as increase in SMN2 promoter activity


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair