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PubMed code 26810265

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50278299
PNG
(1-(6-(7-chloroquinazolin-4-yloxy)pyridin-3-yl)-3-(...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)cc1OC1CCCC1
Show InChI InChI=1S/C26H24ClN5O4/c1-34-22-10-7-17(13-23(22)35-19-4-2-3-5-19)31-26(33)32-18-8-11-24(28-14-18)36-25-20-9-6-16(27)12-21(20)29-15-30-25/h6-15,19H,2-5H2,1H3,(H2,31,32,33)
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Article
PubMed
n/an/a 1.34E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-fused SUMO E1 (unknown origin) using RanGAP1 as substrate after 2 hrs by immunoblot analysis


Bioorg Med Chem Lett 26: 1218-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.030
BindingDB Entry DOI: 10.7270/Q2CJ8GBV
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50143899
PNG
(CHEMBL3759613)
Show SMILES CCc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)Nc1ccc(cc1)C(C)(C)C)-c1ccccc1
Show InChI InChI=1S/C26H28N6O2/c1-5-19-15-23(33)30-24(27-19)32-22(16-21(31-32)17-9-7-6-8-10-17)29-25(34)28-20-13-11-18(12-14-20)26(2,3)4/h6-16H,5H2,1-4H3,(H,27,30,33)(H2,28,29,34)
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PubMed
n/an/a 1.38E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-fused SUMO E1 (unknown origin) using RanGAP1 as substrate after 2 hrs by immunoblot analysis


Bioorg Med Chem Lett 26: 1218-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.030
BindingDB Entry DOI: 10.7270/Q2CJ8GBV
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50143901
PNG
(CHEMBL3758249)
Show SMILES Cc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)Nc1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C22H18N6O4/c1-13-9-20(29)26-21(23-13)28-19(11-16(27-28)14-5-3-2-4-6-14)25-22(30)24-15-7-8-17-18(10-15)32-12-31-17/h2-11H,12H2,1H3,(H,23,26,29)(H2,24,25,30)
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PubMed
n/an/a 3.04E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-fused SUMO E1 (unknown origin) using RanGAP1 as substrate after 2 hrs by immunoblot analysis


Bioorg Med Chem Lett 26: 1218-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.030
BindingDB Entry DOI: 10.7270/Q2CJ8GBV
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50143897
PNG
(CHEMBL3758566)
Show SMILES COc1cc(NC(=O)Nc2nc(cs2)-c2nc3ccccc3s2)cc(OC)c1OC
Show InChI InChI=1S/C20H18N4O4S2/c1-26-14-8-11(9-15(27-2)17(14)28-3)21-19(25)24-20-23-13(10-29-20)18-22-12-6-4-5-7-16(12)30-18/h4-10H,1-3H3,(H2,21,23,24,25)
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PubMed
n/an/a 3.32E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-fused SUMO E1 (unknown origin) using RanGAP1 as substrate after 2 hrs by immunoblot analysis


Bioorg Med Chem Lett 26: 1218-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.030
BindingDB Entry DOI: 10.7270/Q2CJ8GBV
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50143900
PNG
(CHEMBL3758383)
Show SMILES COc1cc(NC(=O)Nc2cc(nn2-c2nc(C)cc(=O)[nH]2)-c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C23H22N6O4/c1-14-9-21(30)27-22(24-14)29-20(13-19(28-29)15-7-5-4-6-8-15)26-23(31)25-16-10-17(32-2)12-18(11-16)33-3/h4-13H,1-3H3,(H,24,27,30)(H2,25,26,31)
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PubMed
n/an/a 7.30E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-fused SUMO E1 (unknown origin) using RanGAP1 as substrate after 2 hrs by immunoblot analysis


Bioorg Med Chem Lett 26: 1218-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.030
BindingDB Entry DOI: 10.7270/Q2CJ8GBV
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50143896
PNG
(CHEMBL3758250)
Show SMILES COc1ccc(NC(=O)Nc2nc(c(C)s2)-c2ccc(C)c(Cl)c2)cc1OC1CCCC1
Show InChI InChI=1S/C24H26ClN3O3S/c1-14-8-9-16(12-19(14)25)22-15(2)32-24(27-22)28-23(29)26-17-10-11-20(30-3)21(13-17)31-18-6-4-5-7-18/h8-13,18H,4-7H2,1-3H3,(H2,26,27,28,29)
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PubMed
n/an/a 9.26E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-fused SUMO E1 (unknown origin) using RanGAP1 as substrate after 2 hrs by immunoblot analysis


Bioorg Med Chem Lett 26: 1218-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.030
BindingDB Entry DOI: 10.7270/Q2CJ8GBV
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50143898
PNG
(CHEMBL3759177)
Show SMILES CCc1cc(=O)[nH]c(n1)-n1nc(cc1NC(=O)Nc1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C23H20N6O4/c1-2-15-11-21(30)27-22(24-15)29-20(12-17(28-29)14-6-4-3-5-7-14)26-23(31)25-16-8-9-18-19(10-16)33-13-32-18/h3-12H,2,13H2,1H3,(H,24,27,30)(H2,25,26,31)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-fused SUMO E1 (unknown origin) using RanGAP1 as substrate after 2 hrs by immunoblot analysis


Bioorg Med Chem Lett 26: 1218-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.030
BindingDB Entry DOI: 10.7270/Q2CJ8GBV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%