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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'SUMO-activating enzyme subunit 2 (SAE2)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
SUMO-activating enzyme subunit 2 (SAE2)


(Homo sapiens (Human))
BDBM50439441
PNG
(CHEMBL2420738)
Show SMILES O=C(Nc1ccc(Cc2ccc(NC(=O)Nc3ccc(cc3)C#N)cc2)cc1)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C29H22N6O2/c30-18-22-5-13-26(14-6-22)34-28(36)32-24-9-1-20(2-10-24)17-21-3-11-25(12-4-21)33-29(37)35-27-15-7-23(19-31)8-16-27/h1-16H,17H2,(H2,32,34,36)(H2,33,35,37)
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n/an/a 1.11E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of SUMO E1 (unknown origin) assessed as SUMO E1-SUMO thioester bond formation


Citation and Details
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2 (SAE2)


(Homo sapiens (Human))
BDBM50439440
PNG
(CHEMBL2420739)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Cc3ccc(NC(=O)Nc4ccc(OC)cc4)cc3)cc2)cc1
Show InChI InChI=1S/C29H28N4O4/c1-36-26-15-11-24(12-16-26)32-28(34)30-22-7-3-20(4-8-22)19-21-5-9-23(10-6-21)31-29(35)33-25-13-17-27(37-2)18-14-25/h3-18H,19H2,1-2H3,(H2,30,32,34)(H2,31,33,35)
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n/an/a 1.17E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of SUMO E1 (unknown origin) assessed as SUMO E1-SUMO thioester bond formation


Citation and Details
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2 (SAE2)


(Homo sapiens (Human))
BDBM50439442
PNG
(CHEMBL2420737)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(Cc3ccc(NC(=O)Nc4cccc(C)c4)cc3)cc2)c1
Show InChI InChI=1S/C29H28N4O2/c1-20-5-3-7-26(17-20)32-28(34)30-24-13-9-22(10-14-24)19-23-11-15-25(16-12-23)31-29(35)33-27-8-4-6-21(2)18-27/h3-18H,19H2,1-2H3,(H2,30,32,34)(H2,31,33,35)
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n/an/a 1.44E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of SUMO E1 (unknown origin) assessed as SUMO E1-SUMO thioester bond formation


Citation and Details
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2 (SAE2)


(Homo sapiens (Human))
BDBM50439436
PNG
(CHEMBL2420740)
Show SMILES Clc1ccc2c(Oc3ccc(NC(=O)Nc4ccc(OCc5ccccc5)cc4)cn3)ncnc2c1
Show InChI InChI=1S/C27H20ClN5O3/c28-19-6-12-23-24(14-19)30-17-31-26(23)36-25-13-9-21(15-29-25)33-27(34)32-20-7-10-22(11-8-20)35-16-18-4-2-1-3-5-18/h1-15,17H,16H2,(H2,32,33,34)
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n/an/a 3.54E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of SUMO E1 (unknown origin)-mediated RanGAP1 sumoylation by immunoblotting analysis


Citation and Details
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2 (SAE2)


(Homo sapiens (Human))
BDBM50439439
PNG
(CHEMBL1900956)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)c1
Show InChI InChI=1S/C21H13ClF3N5O2/c22-13-4-6-16-17(9-13)27-11-28-19(16)32-18-7-5-15(10-26-18)30-20(31)29-14-3-1-2-12(8-14)21(23,24)25/h1-11H,(H2,29,30,31)
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n/an/a 3.56E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of SUMO E1 (unknown origin)-mediated RanGAP1 sumoylation by immunoblotting analysis


Citation and Details
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2 (SAE2)


(Homo sapiens (Human))
BDBM50439437
PNG
(CHEMBL1572155)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)cc1
Show InChI InChI=1S/C21H13ClF3N5O2/c22-13-3-7-16-17(9-13)27-11-28-19(16)32-18-8-6-15(10-26-18)30-20(31)29-14-4-1-12(2-5-14)21(23,24)25/h1-11H,(H2,29,30,31)
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n/an/a 3.57E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of SUMO E1 (unknown origin)-mediated RanGAP1 sumoylation by immunoblotting analysis


Citation and Details
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2 (SAE2)


(Homo sapiens (Human))
BDBM50439438
PNG
(CHEMBL1448459)
Show SMILES Clc1ccc2c(Oc3ccc(NC(=O)Nc4ccccc4)cn3)ncnc2c1
Show InChI InChI=1S/C20H14ClN5O2/c21-13-6-8-16-17(10-13)23-12-24-19(16)28-18-9-7-15(11-22-18)26-20(27)25-14-4-2-1-3-5-14/h1-12H,(H2,25,26,27)
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n/an/a 5.73E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of SUMO E1 (unknown origin)-mediated RanGAP1 sumoylation by immunoblotting analysis


Citation and Details
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2 (SAE2)


(Homo sapiens (Human))
BDBM96736
PNG
(1-[6-(7-chloranylquinazolin-4-yl)oxypyridin-3-yl]-...)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)cc1
Show InChI InChI=1S/C20H13ClFN5O2/c21-12-1-7-16-17(9-12)24-11-25-19(16)29-18-8-6-15(10-23-18)27-20(28)26-14-4-2-13(22)3-5-14/h1-11H,(H2,26,27,28)
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PC cid
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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 SUMO E1 (unknown origin)-mediated RanGAP1 sumoylation by immunoblotting analysis


Citation and Details
More data for this
Ligand-Target Pair