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Compile Data Set for Download or QSAR

Found 330 hits Enz. Inhib. hit(s) with Target = 'ubiquitin-conjugating enzyme E2I' 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
ubiquitin-conjugating enzyme E2I


(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 350n/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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM61232
PNG
((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...)
Show SMILES COc1cc(Br)c(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C20H18BrNO5/c1-24-15-7-11-5-6-22-19(12(11)8-16(15)25-2)20(23)13-9-17(26-3)18(27-4)10-14(13)21/h5-10H,1-4H3
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n/an/a 420n/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
ubiquitin-conjugating enzyme E2I


(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 530n/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
ubiquitin-conjugating enzyme E2I


(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 540n/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
ubiquitin-conjugating enzyme E2I


(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 680n/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
ubiquitin-conjugating enzyme E2I


(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 680n/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
ubiquitin-conjugating enzyme E2I


(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 690n/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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM51936
PNG
(3,5-bis(oxidanyl)-N-[1-[4-(2-phenylethanoylamino)p...)
Show SMILES CC(=NNC(=O)c1cc(O)cc(O)c1)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C23H21N3O4/c1-15(25-26-23(30)18-12-20(27)14-21(28)13-18)17-7-9-19(10-8-17)24-22(29)11-16-5-3-2-4-6-16/h2-10,12-14,27-28H,11H2,1H3,(H,24,29)(H,26,30)
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n/an/a 740n/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
ubiquitin-conjugating enzyme E2I


(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 860n/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
ubiquitin-conjugating enzyme E2I


(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 860n/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
ubiquitin-conjugating enzyme E2I


(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 870n/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
ubiquitin-conjugating enzyme E2I


(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 880n/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
ubiquitin-conjugating enzyme E2I


(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 890n/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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM61252
PNG
(5-[2-[(5Z)-5-(2-furfurylidene)-4-keto-2-thioxo-thi...)
Show SMILES CC(N1C(=S)S\C(=C/c2ccco2)C1=O)C(=O)Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C18H14N2O6S2/c1-9(15(22)19-10-4-5-13(21)12(7-10)17(24)25)20-16(23)14(28-18(20)27)8-11-3-2-6-26-11/h2-9,21H,1H3,(H,19,22)(H,24,25)/b14-8-
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n/an/a 980n/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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM61176
PNG
(3-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-die...)
Show SMILES [O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\n2c(COc3ccccc3)nc3ccccc3c2=O)c1
Show InChI InChI=1S/C22H15N4O5/c27-20-11-10-16(26(29)30)12-15(20)13-23-25-21(14-31-17-6-2-1-3-7-17)24-19-9-5-4-8-18(19)22(25)28/h1-13H,14H2/q-1/p+1/b23-13+
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n/an/a 990n/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
ubiquitin-conjugating enzyme E2I


(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 990n/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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM34918
PNG
(4-chlorobenzaldehyde [2,6-bis(dimethylamino)pyrimi...)
Show SMILES CN(C)c1cc(N=NCc2ccc(Cl)cc2)nc(n1)N(C)C
Show InChI InChI=1S/C15H19ClN6/c1-21(2)14-9-13(18-15(19-14)22(3)4)20-17-10-11-5-7-12(16)8-6-11/h5-9H,10H2,1-4H3
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n/an/a 1.00E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM48719
PNG
(4-[2-[(E)-[1-[2-(4-methylanilino)-2-oxoethyl]-2,5-...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)N\C(=C\c3cccn3-c3ccc(cc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C24H20N4O5/c1-15-4-8-17(9-5-15)25-21(29)14-28-22(30)20(26-24(28)33)13-19-3-2-12-27(19)18-10-6-16(7-11-18)23(31)32/h2-13H,14H2,1H3,(H,25,29)(H,26,33)(H,31,32)/b20-13+
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n/an/a 1.09E+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
ubiquitin-conjugating enzyme E2I


(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 1.12E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM52817
PNG
(2-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-4-ox...)
Show SMILES OC(=O)CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
Show InChI InChI=1S/C14H11NO6S2/c16-11(17)7-9(13(19)20)15-12(18)10(23-14(15)22)5-1-3-8-4-2-6-21-8/h1-6,9H,7H2,(H,16,17)(H,19,20)/b3-1+,10-5-
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n/an/a 1.12E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM52709
PNG
(2-cyano-N'-[(1E)-(2-hydroxy-3-methoxy-5-nitrop...)
Show SMILES COc1cc(c[c-](\C=[NH+]\NC(=O)CC#N)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C11H9N4O5/c1-20-9-5-8(15(18)19)4-7(11(9)17)6-13-14-10(16)2-3-12/h4-6H,2H2,1H3,(H,14,16)/q-1/p+1/b13-6+
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n/an/a 1.15E+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
ubiquitin-conjugating enzyme E2I


(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 1.18E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM61207
PNG
(3-[[(E)-(3-methyl-5-nitro-6-oxidanylidene-cyclohex...)
Show SMILES C[C+]([N-]OCc1nc2ccccc2c(=O)n1\[NH+]=C\[c-]1cc(C)cc([N+]([O-])=O)c1=O)c1ccccc1
Show InChI InChI=1S/C25H20N5O5/c1-16-12-19(24(31)22(13-16)30(33)34)14-26-29-23(27-21-11-7-6-10-20(21)25(29)32)15-35-28-17(2)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3/q-1/p+1/b26-14+
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n/an/a 1.20E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM50613
PNG
(1-[(2-keto-5-nitro-indol-3-yl)amino]-3-(3-pyridyl)...)
Show SMILES [O-][N+](=O)c1ccc2[N-]C(=O)C(=[NH+]NC(=S)Nc3cccnc3)c2c1
Show InChI InChI=1S/C14H10N6O3S/c21-13-12(10-6-9(20(22)23)3-4-11(10)17-13)18-19-14(24)16-8-2-1-5-15-7-8/h1-7H,(H3,16,17,18,19,21,24)
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n/an/a 1.21E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM60915
PNG
((E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinoliny...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Show InChI InChI=1S/C19H13N3O3/c20-11-13(9-12-6-7-17(23)18(24)10-12)19(25)22-16-5-1-4-15-14(16)3-2-8-21-15/h1-10,23-24H,(H,22,25)/b13-9+
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n/an/a 1.27E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM47968
PNG
(MLS000686315 | N-[4-({(4Z)-1-oxo-4-[(thien-2-ylsul...)
Show SMILES CC(=O)Nc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C22H17N3O4S2/c1-14(26)23-15-8-10-16(11-9-15)24-20-13-19(17-5-2-3-6-18(17)22(20)27)25-31(28,29)21-7-4-12-30-21/h2-13,24H,1H3,(H,23,26)
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n/an/a 1.34E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM50449
PNG
(MLS000591126 | N'-[(Z)-3-indolylidenemethyl]-2-[[5...)
Show SMILES Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1
Show InChI InChI=1S/C21H19N5OS3/c1-14-6-8-15(9-7-14)12-28-20-25-26-21(30-20)29-13-19(27)24-23-11-16-10-22-18-5-3-2-4-17(16)18/h2-11,22H,12-13H2,1H3,(H,24,27)
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n/an/a 1.38E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM48872
PNG
(3-[(5Z)-5-({5-[(4-chlorobenzyl)thio]-2-furyl}methy...)
Show SMILES OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C1=O
Show InChI InChI=1S/C22H14ClNO4S3/c23-15-6-4-13(5-7-15)12-30-19-9-8-17(28-19)11-18-20(25)24(22(29)31-18)16-3-1-2-14(10-16)21(26)27/h1-11H,12H2,(H,26,27)/b18-11-
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n/an/a 1.39E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM61224
PNG
(1-(2,4-dichlorophenyl)-3-[[(E)-(3-nitro-6-oxidanyl...)
Show SMILES [O-][N+](=O)c1ccc(=O)[c-](C=[NH+]NC(=S)Nc2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C14H9Cl2N4O3S/c15-9-1-3-12(11(16)6-9)18-14(24)19-17-7-8-5-10(20(22)23)2-4-13(8)21/h1-7H,(H2,18,19,24)/q-1/p+1
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n/an/a 1.41E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM60895
PNG
(4-[3-[(5Z)-5-(2-furfurylidene)-4-keto-2-thioxo-thi...)
Show SMILES OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
Show InChI InChI=1S/C18H14N2O6S2/c21-13-8-10(3-4-12(13)17(24)25)19-15(22)5-6-20-16(23)14(28-18(20)27)9-11-2-1-7-26-11/h1-4,7-9,21H,5-6H2,(H,19,22)(H,24,25)/b14-9-
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n/an/a 1.46E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM33055
PNG
(2,3-bis(2-furanyl)-N-phenyl-6-quinoxalinecarboxami...)
Show SMILES O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H15N3O3/c27-23(24-16-6-2-1-3-7-16)15-10-11-17-18(14-15)26-22(20-9-5-13-29-20)21(25-17)19-8-4-12-28-19/h1-14H,(H,24,27)
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n/an/a 1.54E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM51768
PNG
(2-[[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl...)
Show SMILES Clc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1
Show InChI InChI=1S/C20H16ClN5OS3/c21-15-7-5-13(6-8-15)11-28-19-25-26-20(30-19)29-12-18(27)24-23-10-14-9-22-17-4-2-1-3-16(14)17/h1-10,22H,11-12H2,(H,24,27)
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n/an/a 1.54E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM54404
PNG
(4-[(5E)-4-keto-5-(4-methylbenzylidene)-2-thioxo-th...)
Show SMILES Cc1ccc(\C=C2\SC(=S)N(C2=O)c2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C20H15N3O3S4/c1-13-2-4-14(5-3-13)12-17-18(24)23(20(27)29-17)15-6-8-16(9-7-15)30(25,26)22-19-21-10-11-28-19/h2-12H,1H3,(H,21,22)/b17-12+
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n/an/a 1.58E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM34893
PNG
(6-N-(benzylideneamino)-2-N,2-N,4-N,4-N-tetramethyl...)
Show SMILES CN(C)c1cc(N=NCc2ccccc2)nc(n1)N(C)C
Show InChI InChI=1S/C15H20N6/c1-20(2)14-10-13(17-15(18-14)21(3)4)19-16-11-12-8-6-5-7-9-12/h5-10H,11H2,1-4H3
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n/an/a 1.60E+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
ubiquitin-conjugating enzyme E2I


(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 1.62E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM61223
PNG
(1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(NC(=S)N[NH+]=C[c-]2cc(ccc2=O)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C19H17N6O4S/c1-12-17(18(27)24(23(12)2)14-6-4-3-5-7-14)21-19(30)22-20-11-13-10-15(25(28)29)8-9-16(13)26/h3-11H,1-2H3,(H2,21,22,30)/q-1/p+1
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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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM44073
PNG
((E)-4-(1,3-benzothiazol-2-yl)-5-[4-(N-methylanilin...)
Show SMILES CN(c1ccccc1)c1ccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)cc1[N+]([O-])=O
Show InChI InChI=1S/C25H21N3O4S/c1-27(19-7-3-2-4-8-19)21-13-11-17(16-22(21)28(31)32)15-18(12-14-24(29)30)25-26-20-9-5-6-10-23(20)33-25/h2-11,13,15-16H,12,14H2,1H3,(H,29,30)/b18-15+
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n/an/a 1.65E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM49122
PNG
(2-amino-3-hydroxy-N'-(2,3,4-trihydroxybenzyl)propi...)
Show SMILES NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)
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n/an/a 1.66E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM61242
PNG
(4-methyl-N-[5-[2-oxidanylidene-2-[2-[(Z)-(3-oxidan...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(O)c(O)c2)s1
Show InChI InChI=1S/C19H17N5O4S/c1-11-2-5-13(6-3-11)18(28)21-19-24-23-17(29-19)9-16(27)22-20-10-12-4-7-14(25)15(26)8-12/h2-8,10,25-26H,9H2,1H3,(H,22,27)(H,21,24,28)
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n/an/a 1.71E+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
ubiquitin-conjugating enzyme E2I


(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 1.80E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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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
ubiquitin-conjugating enzyme E2I


(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 1.82E+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
ubiquitin-conjugating enzyme E2I


(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 1.84E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM50697
PNG
(3-[[4-chloranyl-2-oxidanylidene-5-[[(3-oxidanylnap...)
Show SMILES OC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3cc4ccccc4cc3O)sc2=O)c1
Show InChI InChI=1S/C23H16ClN3O5S/c24-20-19(33-23(32)27(20)12-13-4-3-7-16(8-13)22(30)31)11-25-26-21(29)17-9-14-5-1-2-6-15(14)10-18(17)28/h1-11,28H,12H2,(H,26,29)(H,30,31)
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n/an/a 1.86E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM54907
PNG
(2-Amino-1-phenethyl-1H-pyrrolo[2,3-b]quinoxaline-3...)
Show SMILES Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccccc1
Show InChI InChI=1S/C24H21N5O2/c25-22-20(24(30)26-15-17-9-6-14-31-17)21-23(28-19-11-5-4-10-18(19)27-21)29(22)13-12-16-7-2-1-3-8-16/h1-11,14H,12-13,15,25H2,(H,26,30)
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n/an/a 1.87E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM61179
PNG
(2-(3,4-Dioxo-3,4-dihydro-naphthalen-1-ylamino)-ben...)
Show SMILES OC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C17H11NO4/c19-15-9-14(10-5-1-2-6-11(10)16(15)20)18-13-8-4-3-7-12(13)17(21)22/h1-9,18H,(H,21,22)
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n/an/a 1.90E+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
ubiquitin-conjugating enzyme E2I


(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 2.06E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM61233
PNG
(4-[(3,4-diketo-1-naphthyl)amino]benzenesulfonamide...)
Show SMILES NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C16H12N2O4S/c17-23(21,22)11-7-5-10(6-8-11)18-14-9-15(19)16(20)13-4-2-1-3-12(13)14/h1-9,18H,(H2,17,21,22)
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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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM61172
PNG
(MLS000567596 | N'-[(5Z)-5-(2,5-dimethoxybenzyliden...)
Show SMILES COc1ccc(OC)c(C=C2SC(NNC(=O)c3ccc4ccccc4c3)=NC2=O)c1
Show InChI InChI=1S/C23H19N3O4S/c1-29-18-9-10-19(30-2)17(12-18)13-20-22(28)24-23(31-20)26-25-21(27)16-8-7-14-5-3-4-6-15(14)11-16/h3-13H,1-2H3,(H,25,27)(H,24,26,28)
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n/an/a 2.14E+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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM42027
PNG
(4-[8-[(3-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrah...)
Show SMILES COc1cccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C26H24N2O5S/c1-33-19-5-2-4-18(14-19)28-34(31,32)20-12-13-24-23(15-20)21-6-3-7-22(21)25(27-24)16-8-10-17(11-9-16)26(29)30/h2-6,8-15,21-22,25,27-28H,7H2,1H3,(H,29,30)
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n/an/a 2.15E+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
ubiquitin-conjugating enzyme E2I


(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 2.16E+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
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