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Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'thompson' and Initial = 'mj'   
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
Flap endonuclease 1 [1-336]


(Homo sapiens (Human))
BDBM197162
PNG
(3-hydroxy-1-(4-methoxybenzyl)quinazoline-2,4(1H,3H...)
Show SMILES COc1ccc(Cn2c3ccccc3c(=O)n(O)c2=O)cc1
Show InChI InChI=1S/C16H14N2O4/c1-22-12-8-6-11(7-9-12)10-17-14-5-3-2-4-13(14)15(19)18(21)16(17)20/h2-9,21H,10H2,1H3
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UniChem
Article
PubMed
n/an/a 16.9n/an/an/an/a7.5n/a



University of Sheffield



Assay Description
Reaction mixtures containing twelve different concentrations of FAM-labeled DF1 (Supplementary Fig. 5a) substrate were prepared in reaction buffer (R...


Nat Chem Biol 12: 815-21 (2016)


Article DOI: 10.1038/nchembio.2148
BindingDB Entry DOI: 10.7270/Q2RJ4H88
More data for this
Ligand-Target Pair
Flap endonuclease 1 [1-336]


(Homo sapiens (Human))
BDBM197161
PNG
(1-(cyclopropylmethyl)-3-hydroxyquinazoline-2,4(1H,...)
Show SMILES On1c(=O)n(CC2CC2)c2ccccc2c1=O
Show InChI InChI=1S/C12H12N2O3/c15-11-9-3-1-2-4-10(9)13(7-8-5-6-8)12(16)14(11)17/h1-4,8,17H,5-7H2
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MCE
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PC sid
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Article
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n/an/a 30n/an/an/an/a7.5n/a



University of Sheffield



Assay Description
Reaction mixtures containing twelve different concentrations of FAM-labeled DF1 (Supplementary Fig. 5a) substrate were prepared in reaction buffer (R...


Nat Chem Biol 12: 815-21 (2016)


Article DOI: 10.1038/nchembio.2148
BindingDB Entry DOI: 10.7270/Q2RJ4H88
More data for this
Ligand-Target Pair
Flap endonuclease 1 [1-336]


(Homo sapiens (Human))
BDBM50157840
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-3-...)
Show SMILES On1c(=O)n(CC2COc3ccccc3O2)c2ccsc2c1=O
Show InChI InChI=1S/C15H12N2O5S/c18-14-13-10(5-6-23-13)16(15(19)17(14)20)7-9-8-21-11-3-1-2-4-12(11)22-9/h1-6,9,20H,7-8H2
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MCE
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PubMed
n/an/a 46.4n/an/an/an/a7.5n/a



University of Sheffield



Assay Description
Reaction mixtures containing twelve different concentrations of FAM-labeled DF1 (Supplementary Fig. 5a) substrate were prepared in reaction buffer (R...


Nat Chem Biol 12: 815-21 (2016)


Article DOI: 10.1038/nchembio.2148
BindingDB Entry DOI: 10.7270/Q2RJ4H88
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50500399
PNG
(CHEMBL3746906)
Show SMILES COCC(C)n1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc12
Show InChI InChI=1S/C20H21N3O4/c1-13(12-26-2)23-11-16(15-6-4-5-7-17(15)23)19(24)20(25)22-14-8-9-18(27-3)21-10-14/h4-11,13H,12H2,1-3H3,(H,22,25)
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n/an/a 160n/an/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assay


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500401
PNG
(CHEMBL3746593)
Show SMILES COc1ccc(NC(=O)C(=O)c2cn(CC3CCCO3)c3ccccc23)cn1
Show InChI InChI=1S/C21H21N3O4/c1-27-19-9-8-14(11-22-19)23-21(26)20(25)17-13-24(12-15-5-4-10-28-15)18-7-3-2-6-16(17)18/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3,(H,23,26)
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n/an/a 420n/an/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assay


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500404
PNG
(CHEMBL3747333)
Show SMILES COCCn1cc(C(=O)C(=O)Nc2ccc(OC(C)C)nc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O4/c1-14(2)28-19-9-8-15(12-22-19)23-21(26)20(25)17-13-24(10-11-27-3)18-7-5-4-6-16(17)18/h4-9,12-14H,10-11H2,1-3H3,(H,23,26)
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n/an/a 500n/an/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assay


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500403
PNG
(CHEMBL3746996)
Show SMILES COCCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2cccnc12
Show InChI InChI=1S/C18H18N4O4/c1-25-9-8-22-11-14(13-4-3-7-19-17(13)22)16(23)18(24)21-12-5-6-15(26-2)20-10-12/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
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n/an/a 940n/an/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assay


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500400
PNG
(CHEMBL3747196)
Show SMILES COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)cn1
Show InChI InChI=1S/C19H19N3O3/c1-12(2)22-11-15(14-6-4-5-7-16(14)22)18(23)19(24)21-13-8-9-17(25-3)20-10-13/h4-12H,1-3H3,(H,21,24)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assay


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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PDB
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 method


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50500402
PNG
(CHEMBL3747607)
Show SMILES COCC(C)(C)n1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O4/c1-21(2,13-27-3)24-12-16(15-7-5-6-8-17(15)24)19(25)20(26)23-14-9-10-18(28-4)22-11-14/h5-12H,13H2,1-4H3,(H,23,26)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assay


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500403
PNG
(CHEMBL3746996)
Show SMILES COCCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2cccnc12
Show InChI InChI=1S/C18H18N4O4/c1-25-9-8-22-11-14(13-4-3-7-19-17(13)22)16(23)18(24)21-12-5-6-15(26-2)20-10-12/h3-7,10-11H,8-9H2,1-2H3,(H,21,24)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 method


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500399
PNG
(CHEMBL3746906)
Show SMILES COCC(C)n1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc12
Show InChI InChI=1S/C20H21N3O4/c1-13(12-26-2)23-11-16(15-6-4-5-7-17(15)23)19(24)20(25)22-14-8-9-18(27-3)21-10-14/h4-11,13H,12H2,1-3H3,(H,22,25)
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 method


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500404
PNG
(CHEMBL3747333)
Show SMILES COCCn1cc(C(=O)C(=O)Nc2ccc(OC(C)C)nc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O4/c1-14(2)28-19-9-8-15(12-22-19)23-21(26)20(25)17-13-24(10-11-27-3)18-7-5-4-6-16(17)18/h4-9,12-14H,10-11H2,1-3H3,(H,23,26)
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 method


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500402
PNG
(CHEMBL3747607)
Show SMILES COCC(C)(C)n1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O4/c1-21(2,13-27-3)24-12-16(15-7-5-6-8-17(15)24)19(25)20(26)23-14-9-10-18(28-4)22-11-14/h5-12H,13H2,1-4H3,(H,23,26)
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 method


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500401
PNG
(CHEMBL3746593)
Show SMILES COc1ccc(NC(=O)C(=O)c2cn(CC3CCCO3)c3ccccc23)cn1
Show InChI InChI=1S/C21H21N3O4/c1-27-19-9-8-14(11-22-19)23-21(26)20(25)17-13-24(12-15-5-4-10-28-15)18-7-3-2-6-16(17)18/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3,(H,23,26)
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n/an/a 8.30E+3n/an/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 method


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500400
PNG
(CHEMBL3747196)
Show SMILES COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)cn1
Show InChI InChI=1S/C19H19N3O3/c1-12(2)22-11-15(14-6-4-5-7-16(14)22)18(23)19(24)21-13-8-9-17(25-3)20-10-13/h4-12H,1-3H3,(H,21,24)
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n/an/a 1.49E+4n/an/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 method


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair