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Compile Data Set for Download or QSAR

Found 272 hits Enz. Inhib. hit(s) with Target = 'SUMO-activating enzyme' 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


(Homo sapiens (Human))
BDBM47952
PNG
(MLS000588669 | N-(1-allyl-3-tosyl-pyrrolo[3,2-b]qu...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccccc2)n(CC=C)c2nc3ccccc3nc12
Show InChI InChI=1S/C26H22N4O4S2/c1-3-17-30-25-23(27-21-11-7-8-12-22(21)28-25)24(35(31,32)19-15-13-18(2)14-16-19)26(30)29-36(33,34)20-9-5-4-6-10-20/h3-16,29H,1,17H2,2H3
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US Patent
n/an/a 500n/an/an/an/an/an/a



City of Hope; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE...


US Patent US9045483 (2015)

More data for this
Ligand-Target Pair
SUMO-activating enzyme


(Homo sapiens (Human))
BDBM54915
PNG
(MLS000588658 | N-(1-butyl-3-tosyl-pyrrolo[3,2-b]qu...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-16-14-19(2)15-17-20)27(31)30-37(34,35)21-10-6-5-7-11-21/h5-17,30H,3-4,18H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



City of Hope; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE...


US Patent US9045483 (2015)

More data for this
Ligand-Target Pair
SUMO-activating enzyme


(Homo sapiens (Human))
BDBM30831
PNG
(MLS000055622 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccc(F)cc2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18FN5O/c1-2-3-12-28-20(27-22(29)14-8-10-15(23)11-9-14)16(13-24)19-21(28)26-18-7-5-4-6-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a 760n/an/an/an/an/an/a



City of Hope; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE...


US Patent US9045483 (2015)

More data for this
Ligand-Target Pair
SUMO-activating enzyme


(Homo sapiens (Human))
BDBM160656
PNG
(US9045483, 9)
Show SMILES CCCCNC(=O)c1c(NC(=O)c2ccccc2Cl)n(Cc2ccccc2)c2nc3ccccc3nc12
Show InChI InChI=1S/C29H26ClN5O2/c1-2-3-17-31-29(37)24-25-27(33-23-16-10-9-15-22(23)32-25)35(18-19-11-5-4-6-12-19)26(24)34-28(36)20-13-7-8-14-21(20)30/h4-16H,2-3,17-18H2,1H3,(H,31,37)(H,34,36)
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n/an/a 1.10E+3n/an/an/an/an/an/a



City of Hope; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE...


US Patent US9045483 (2015)

More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM47952
PNG
(MLS000588669 | N-(1-allyl-3-tosyl-pyrrolo[3,2-b]qu...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccccc2)n(CC=C)c2nc3ccccc3nc12
Show InChI InChI=1S/C26H22N4O4S2/c1-3-17-30-25-23(27-21-11-7-8-12-22(21)28-25)24(35(31,32)19-15-13-18(2)14-16-19)26(30)29-36(33,34)20-9-5-4-6-10-20/h3-16,29H,1,17H2,2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM34943
PNG
(3-(2-hydrazino-2-keto-ethoxy)pyrid[1,2-a]indole-10...)
Show SMILES CCOC(=O)c1c2ccc(OCC(=O)NN)cc2n2ccccc12
Show InChI InChI=1S/C17H17N3O4/c1-2-23-17(22)16-12-7-6-11(24-10-15(21)19-18)9-14(12)20-8-4-3-5-13(16)20/h3-9H,2,10,18H2,1H3,(H,19,21)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM54915
PNG
(MLS000588658 | N-(1-butyl-3-tosyl-pyrrolo[3,2-b]qu...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-16-14-19(2)15-17-20)27(31)30-37(34,35)21-10-6-5-7-11-21/h5-17,30H,3-4,18H2,1-2H3
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n/an/a 1.83E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM61158
PNG
(1-(1-Phenylamino-but-3-enyl)-7-oxa-bicyclo[2.2.1]h...)
Show SMILES COC(=O)C1=C(C(=O)OC)C2(OC1C=C2)C(CC=C)Nc1ccccc1
Show InChI InChI=1S/C20H21NO5/c1-4-8-15(21-13-9-6-5-7-10-13)20-12-11-14(26-20)16(18(22)24-2)17(20)19(23)25-3/h4-7,9-12,14-15,21H,1,8H2,2-3H3
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n/an/a 1.98E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM53205
PNG
(1,3-bis[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-...)
Show SMILES O=C(NN=CC1=CC(=O)C(=O)CC1)NN=CC1=CC(=O)C(=O)CC1
Show InChI InChI=1S/C15H14N4O5/c20-11-3-1-9(5-13(11)22)7-16-18-15(24)19-17-8-10-2-4-12(21)14(23)6-10/h5-8H,1-4H2,(H2,18,19,24)
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n/an/a 2.11E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM50240436
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...)
Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of recombinant SAE1(unknown origin)-mediated SUMOylation of RanGAP1-C2


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM61197
PNG
((2,6-dipyrrolidinopyrimidin-4-yl)-(p-anisylideneam...)
Show SMILES COc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1
Show InChI InChI=1S/C20H26N6O/c1-27-17-8-6-16(7-9-17)15-21-24-18-14-19(25-10-2-3-11-25)23-20(22-18)26-12-4-5-13-26/h6-9,14H,2-5,10-13,15H2,1H3
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n/an/a 2.31E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM32030
PNG
(2-chloranyl-N-(3-cyano-1-prop-2-enyl-pyrrolo[3,2-b...)
Show SMILES Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C
Show InChI InChI=1S/C21H14ClN5O/c1-2-11-27-19(26-21(28)13-7-3-4-8-15(13)22)14(12-23)18-20(27)25-17-10-6-5-9-16(17)24-18/h2-10H,1,11H2,(H,26,28)
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n/an/a 2.63E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a 2.82E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM47597
PNG
(MLS000591719 | N-(12-Cyano-indolizino[2,3-b]quinox...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1
Show InChI InChI=1S/C22H12FN5O/c23-14-7-5-13(6-8-14)22(29)25-15-9-10-19-16(11-24)20-21(28(19)12-15)27-18-4-2-1-3-17(18)26-20/h1-10,12H,(H,25,29)
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n/an/a 2.96E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM50242188
PNG
(6-(8'Z-pentadecenyl)-salicylicacid | 6-[8'(Z)-pent...)
Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of recombinant SAE1(unknown origin)-mediated SUMOylation of RanGAP1-C2


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM42216
PNG
(3-(4-fluoroanilino)-2H-isoquinolin-1-one | 3-(4-fl...)
Show SMILES Fc1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C15H11FN2O/c16-11-5-7-12(8-6-11)17-14-9-10-3-1-2-4-13(10)15(19)18-14/h1-9H,(H2,17,18,19)
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n/an/a 3.38E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM39949
PNG
(MLS000053822 | N-(6-ethyl-1,3-benzothiazol-2-yl)-2...)
Show SMILES CCc1ccc2nc(NC(=O)c3ccc4c(c3)nc(CN3CCOCC3)[nH]c4=O)sc2c1
Show InChI InChI=1S/C23H23N5O3S/c1-2-14-3-6-17-19(11-14)32-23(25-17)27-21(29)15-4-5-16-18(12-15)24-20(26-22(16)30)13-28-7-9-31-10-8-28/h3-6,11-12H,2,7-10,13H2,1H3,(H,24,26,30)(H,25,27,29)
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n/an/a 3.54E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO-activating enzyme


(Homo sapiens (Human))
BDBM32062
PNG
(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H19N5O/c1-2-3-13-27-20(26-22(28)15-9-5-4-6-10-15)16(14-23)19-21(27)25-18-12-8-7-11-17(18)24-19/h4-12H,2-3,13H2,1H3,(H,26,28)
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n/an/a 3.60E+3n/an/an/an/an/an/a



City of Hope; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE...


US Patent US9045483 (2015)

More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM61205
PNG
(1,8-bis(azanyl)-6-methoxy-3-pyrrolidin-1-yl-2,7-na...)
Show SMILES COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1
Show InChI InChI=1S/C14H16N6O/c1-21-10-6-8-9(7-15)14(20-4-2-3-5-20)19-13(17)11(8)12(16)18-10/h6H,2-5H2,1H3,(H2,16,18)(H2,17,19)
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n/an/a 3.79E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM46589
PNG
(2-[(1,8-diamino-5-cyano-6-piperidin-1-yl-2,7-napht...)
Show SMILES Nc1nc(SCC(O)=O)cc2c(C#N)c(nc(N)c12)N1CCCCC1
Show InChI InChI=1S/C16H18N6O2S/c17-7-10-9-6-11(25-8-12(23)24)20-14(18)13(9)15(19)21-16(10)22-4-2-1-3-5-22/h6H,1-5,8H2,(H2,18,20)(H2,19,21)(H,23,24)
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n/an/a 3.92E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM29635
PNG
(1-(2-furanylmethyl)-2-imino-3-(4-methylphenyl)sulf...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)c1=N
Show InChI InChI=1S/C23H18N4O4S/c1-15-7-9-17(10-8-15)32(29,30)19-13-18-22(25-20-6-2-3-11-26(20)23(18)28)27(21(19)24)14-16-5-4-12-31-16/h2-13,24H,14H2,1H3
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n/an/a 3.93E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM61167
PNG
(2-(1,3-benzoxazol-2-ylamino)-6-methyl-4-(4-methylp...)
Show SMILES CC1=NC(Nc2nc3ccccc3o2)=NC(C1C(=O)Nc1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C26H23N5O2/c1-16-12-14-18(15-13-16)23-22(24(32)28-19-8-4-3-5-9-19)17(2)27-25(30-23)31-26-29-20-10-6-7-11-21(20)33-26/h3-15,22-23H,1-2H3,(H,28,32)(H,29,30,31)
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n/an/a 4.07E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM61250
PNG
(2-azanylidene-3-(4-bromophenyl)sulfonyl-1-(furan-2...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)c1=N
Show InChI InChI=1S/C22H15BrN4O4S/c23-14-6-8-16(9-7-14)32(29,30)18-12-17-21(25-19-5-1-2-10-26(19)22(17)28)27(20(18)24)13-15-4-3-11-31-15/h1-12,24H,13H2
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n/an/a 4.16E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM32098
PNG
(3-(2-methylanilino)-2H-isoquinolin-1-one | 3-(o-to...)
Show SMILES Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O/c1-11-6-2-5-9-14(11)17-15-10-12-7-3-4-8-13(12)16(19)18-15/h2-10H,1H3,(H2,17,18,19)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM61247
PNG
(2-azanylidene-3-(4-chlorophenyl)sulfonyl-1-(furan-...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)c1=N
Show InChI InChI=1S/C22H15ClN4O4S/c23-14-6-8-16(9-7-14)32(29,30)18-12-17-21(25-19-5-1-2-10-26(19)22(17)28)27(20(18)24)13-15-4-3-11-31-15/h1-12,24H,13H2
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n/an/a 4.47E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO-activating enzyme


(Homo sapiens (Human))
BDBM160655
PNG
(US9045483, 8)
Show SMILES CCCCn1c(NC(=O)c2ccc(Cl)cc2)c(C#N)c2nc3cc(C)c(C)cc3nc12
Show InChI InChI=1S/C24H22ClN5O/c1-4-5-10-30-22(29-24(31)16-6-8-17(25)9-7-16)18(13-26)21-23(30)28-20-12-15(3)14(2)11-19(20)27-21/h6-9,11-12H,4-5,10H2,1-3H3,(H,29,31)
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US Patent
n/an/a 4.50E+3n/an/an/an/an/an/a



City of Hope; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE...


US Patent US9045483 (2015)

More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM44110
PNG
((5Z)-3-[[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(\[NH+]=C\[c-]3cc(ccc3=O)[N+]([O-])=O)C2=O)o1
Show InChI InChI=1S/C16H10N3O5S2/c1-9-2-4-12(24-9)7-14-15(21)18(16(25)26-14)17-8-10-6-11(19(22)23)3-5-13(10)20/h2-8H,1H3/q-1/p+1/b14-7-,17-8+
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n/an/a 4.54E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM41948
PNG
(5-(2,5-dichlorophenyl)-N-(5-methyl-2,1,3-benzothia...)
Show SMILES Cc1ccc2nsnc2c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C18H11Cl2N3O2S/c1-9-2-5-13-17(23-26-22-13)16(9)21-18(24)15-7-6-14(25-15)11-8-10(19)3-4-12(11)20/h2-8H,1H3,(H,21,24)
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n/an/a 4.64E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM10515
PNG
(5-(1,2-dithiolan-3-yl)pentanoic acid | CHEMBL33864...)
Show SMILES OC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
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n/an/a 4.74E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM43091
PNG
(2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-su...)
Show SMILES CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
Show InChI InChI=1S/C20H16ClN3O5S3/c1-2-29-16(25)10-24-13-8-7-11(32(22,27)28)9-15(13)31-20(24)23-19(26)18-17(21)12-5-3-4-6-14(12)30-18/h3-9H,2,10H2,1H3,(H2,22,27,28)/b23-20-
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n/an/a 4.97E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM35371
PNG
((7-chloro-5-pyrrolidino-benzofurazan-4-yl)amine | ...)
Show SMILES Nc1c(cc(Cl)c2nonc12)N1CCCC1
Show InChI InChI=1S/C10H11ClN4O/c11-6-5-7(15-3-1-2-4-15)8(12)10-9(6)13-16-14-10/h5H,1-4,12H2
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n/an/a 5.60E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM61195
PNG
(MLS000765857 | N'-(2,6-dipyrrolidin-1-ylpyrimidin-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C19H23N7O3/c27-18(14-5-7-15(8-6-14)26(28)29)23-22-16-13-17(24-9-1-2-10-24)21-19(20-16)25-11-3-4-12-25/h5-8,13H,1-4,9-12H2,(H,23,27)(H,20,21,22)
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n/an/a 5.63E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO-activating enzyme


(Homo sapiens (Human))
BDBM160657
PNG
(US9045483, 10)
Show SMILES CCCCn1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H17N5O2/c1-2-3-10-25-18(24-20(26)16-9-6-11-27-16)13(12-21)17-19(25)23-15-8-5-4-7-14(15)22-17/h4-9,11H,2-3,10H2,1H3,(H,24,26)
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n/an/a 5.70E+3n/an/an/an/an/an/a



City of Hope; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE...


US Patent US9045483 (2015)

More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
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n/an/a 5.71E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM50743
PNG
(4-[(5E)-4-keto-5-p-anisylidene-2-thioxo-thiazolidi...)
Show SMILES COc1ccc(\C=C2\SC(=S)N(C2=O)c2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C20H15N3O4S4/c1-27-15-6-2-13(3-7-15)12-17-18(24)23(20(28)30-17)14-4-8-16(9-5-14)31(25,26)22-19-21-10-11-29-19/h2-12H,1H3,(H,21,22)/b17-12+
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n/an/a 5.90E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM61260
PNG
(3-(2,5-dioxo-1-pyrrolidinyl)-N-(4-methoxy-7-methyl...)
Show SMILES COc1ccc(C)c2sc(NC(=O)c3cccc(c3)-n3c(O)ccc3O)nc12
Show InChI InChI=1S/C20H17N3O4S/c1-11-6-7-14(27-2)17-18(11)28-20(21-17)22-19(26)12-4-3-5-13(10-12)23-15(24)8-9-16(23)25/h3-10,24-25H,1-2H3,(H,21,22,26)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM50648
PNG
(MLS000762704 | N-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-...)
Show SMILES O=C(NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O)c1ccncc1
Show InChI InChI=1S/C16H11N3O3S2/c20-14(11-6-8-17-9-7-11)18-19-15(21)13(24-16(19)23)5-1-3-12-4-2-10-22-12/h1-10H,(H,18,20)/b3-1+,13-5-
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n/an/a 6.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM50427035
PNG
(CHEMBL2017005)
Show SMILES NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCc4ccccc34)ncnc12
Show InChI InChI=1S/C19H22N6O6S/c20-32(28,29)30-7-13-15(26)16(27)19(31-13)25-9-23-14-17(21-8-22-18(14)25)24-12-6-5-10-3-1-2-4-11(10)12/h1-4,8-9,12-13,15-16,19,26-27H,5-7H2,(H2,20,28,29)(H,21,22,24)/t12-,13+,15+,16+,19+/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of SAE (unknown origin) in presence of ATP


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM53174
PNG
(3,6-bis(2-furanyl)-1,2,4,5-tetrazine | 3,6-bis(2-f...)
Show SMILES c1coc(c1)-c1nnc(nn1)-c1ccco1
Show InChI InChI=1S/C10H6N4O2/c1-3-7(15-5-1)9-11-13-10(14-12-9)8-4-2-6-16-8/h1-6H
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n/an/a 6.47E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM40251
PNG
(2-(4-fluoroanilino)-6-[(1-phenyltetrazol-5-yl)sulf...)
Show SMILES Fc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C18H14FN7OS/c19-12-6-8-13(9-7-12)20-17-21-14(10-16(27)22-17)11-28-18-23-24-25-26(18)15-4-2-1-3-5-15/h1-10H,11H2,(H2,20,21,22,27)
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n/an/a 6.47E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM48667
PNG
(3-[5-({3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3ccc(o3)-c3cccc(C(O)=O)c3C)C2=O)cc1C
Show InChI InChI=1S/C26H22N2O6S/c1-14-7-8-17(11-15(14)2)27-23(29)13-28-24(30)22(35-26(28)33)12-18-9-10-21(34-18)19-5-4-6-20(16(19)3)25(31)32/h4-12H,13H2,1-3H3,(H,27,29)(H,31,32)/b22-12-
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n/an/a 6.48E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM61189
PNG
(5-(3-Chloro-phenyl)-furan-2-carboxylic acid (2-oxo...)
Show SMILES Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C20H12ClNO4/c21-14-3-1-2-12(10-14)16-7-8-18(25-16)20(24)22-15-5-6-17-13(11-15)4-9-19(23)26-17/h1-11H,(H,22,24)
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n/an/a 6.77E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM34724
PNG
(3-[2-[2-[(4-methylphenyl)methylidene]hydrazinyl]-2...)
Show SMILES CCOC(=O)c1c2ccc(OCC(=O)NN=Cc3ccc(C)cc3)cc2n2ccccc12
Show InChI InChI=1S/C25H23N3O4/c1-3-31-25(30)24-20-12-11-19(14-22(20)28-13-5-4-6-21(24)28)32-16-23(29)27-26-15-18-9-7-17(2)8-10-18/h4-15H,3,16H2,1-2H3,(H,27,29)
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n/an/a 7.01E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM54979
PNG
(2-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]a...)
Show SMILES COC(=O)c1c(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)sc2CCCCCc12
Show InChI InChI=1S/C23H23N3O6S/c1-31-23(30)20-16-5-3-2-4-6-17(16)33-21(20)26-19(28)13-32-22(29)14-7-9-15(10-8-14)25-18(27)11-12-24/h7-10H,2-6,11,13H2,1H3,(H,25,27)(H,26,28)
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n/an/a 7.43E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM61211
PNG
((6E)-5-azanylidene-6-[[2,5-dimethyl-1-(phenylmethy...)
Show SMILES Cc1cc(\C=C2\C(=O)N=C3SC(=NN3C2=N)c2ccco2)c(C)n1Cc1ccccc1
Show InChI InChI=1S/C23H19N5O2S/c1-14-11-17(15(2)27(14)13-16-7-4-3-5-8-16)12-18-20(24)28-23(25-21(18)29)31-22(26-28)19-9-6-10-30-19/h3-12,24H,13H2,1-2H3/b18-12+,24-20?
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n/an/a 7.54E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM48726
PNG
(4-(7,8-Dimethoxy-1-methyl-3-phenyl-3H-pyrazolo[3,4...)
Show SMILES COc1cc2c(nc3n(nc(C)c3c2cc1OC)-c1ccccc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H21N3O3/c1-15-23-19-13-21(30-2)22(31-3)14-20(19)24(16-9-11-18(29)12-10-16)26-25(23)28(27-15)17-7-5-4-6-8-17/h4-14,29H,1-3H3
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n/an/a 7.67E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM61212
PNG
(MLS001042192 | N-(1-Heptyl-1H-benzoimidazol-2-yl)-...)
Show SMILES CCCCCCCn1c(NC(=O)CC)nc2ccccc12
Show InChI InChI=1S/C17H25N3O/c1-3-5-6-7-10-13-20-15-12-9-8-11-14(15)18-17(20)19-16(21)4-2/h8-9,11-12H,3-7,10,13H2,1-2H3,(H,18,19,21)
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n/an/a 7.82E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM50427034
PNG
(CHEMBL2322194)
Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)N1CCc2c1ncnc2N[C@H]1CCc2ccccc12
Show InChI InChI=1S/C21H27N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,12,14-15,18-19,27H,5-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of SAE (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
SUMO-activating enzyme


(Homo sapiens (Human))
BDBM37640
PNG
(MLS000079917 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C17H17N5O/c1-3-4-9-22-16(19-11(2)23)12(10-18)15-17(22)21-14-8-6-5-7-13(14)20-15/h5-8H,3-4,9H2,1-2H3,(H,19,23)
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US Patent
n/an/a 8.30E+3n/an/an/an/an/an/a



City of Hope; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE...


US Patent US9045483 (2015)

More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM34697
PNG
(MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...)
Show SMILES CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H19N5O/c1-3-14(2)27-20(26-22(28)15-9-5-4-6-10-15)16(13-23)19-21(27)25-18-12-8-7-11-17(18)24-19/h4-12,14H,3H2,1-2H3,(H,26,28)
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n/an/a 8.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
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