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PubChem AID 493182

Compile Data Set for Download or QSAR

Found 353 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM46318
PNG
(2-amino-4-methyl-N'-(3,4,5-trimethoxybenzylide...)
Show SMILES COc1cc(C=NNC(=O)c2sc(N)nc2C)cc(OC)c1OC
Show InChI InChI=1S/C15H18N4O4S/c1-8-13(24-15(16)18-8)14(20)19-17-7-9-5-10(21-2)12(23-4)11(6-9)22-3/h5-7H,1-4H3,(H2,16,18)(H,19,20)
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n/an/a 386n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78669
PNG
(1-[(2-keto-5,7-dimethyl-indol-3-yl)amino]-3-(tetra...)
Show SMILES Cc1cc(C)c2=NC(=O)C(NNC(=S)NCC3CCCO3)=c2c1
Show InChI InChI=1S/C16H20N4O2S/c1-9-6-10(2)13-12(7-9)14(15(21)18-13)19-20-16(23)17-8-11-4-3-5-22-11/h6-7,11H,3-5,8H2,1-2H3,(H2,17,20,23)(H,18,19,21)
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n/an/a 509n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78633
PNG
(2-amino-4-methyl-N-(veratrylideneamino)thiazole-5-...)
Show SMILES COc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1OC
Show InChI InChI=1S/C14H16N4O3S/c1-8-12(22-14(15)17-8)13(19)18-16-7-9-4-5-10(20-2)11(6-9)21-3/h4-7H,1-3H3,(H2,15,17)(H,18,19)
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n/an/a 548n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78849
PNG
(1-[(2-keto-5,7-dimethyl-indol-3-yl)amino]-3-(2-met...)
Show SMILES COCCNC(=S)NNC1=c2cc(C)cc(C)c2=NC1=O
Show InChI InChI=1S/C14H18N4O2S/c1-8-6-9(2)11-10(7-8)12(13(19)16-11)17-18-14(21)15-4-5-20-3/h6-7H,4-5H2,1-3H3,(H2,15,18,21)(H,16,17,19)
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n/an/a 561n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM72267
PNG
(1-(3-methylphenyl)-3-[(2-oxidanylideneindol-3-yl)a...)
Show SMILES Cc1cccc(NC(=S)NNC2=c3ccccc3=NC2=O)c1
Show InChI InChI=1S/C16H14N4OS/c1-10-5-4-6-11(9-10)17-16(22)20-19-14-12-7-2-3-8-13(12)18-15(14)21/h2-9H,1H3,(H2,17,20,22)(H,18,19,21)
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n/an/a 594n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78671
PNG
(1-[(2-keto-5-nitro-indol-3-yl)amino]-3-(tetrahydro...)
Show SMILES [O-][N+](=O)c1ccc2[N-]C(=O)C(=[NH+]NC(=S)NCC3CCCO3)c2c1
Show InChI InChI=1S/C14H15N5O4S/c20-13-12(10-6-8(19(21)22)3-4-11(10)16-13)17-18-14(24)15-7-9-2-1-5-23-9/h3-4,6,9H,1-2,5,7H2,(H3,15,16,17,18,20,24)
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n/an/a 664n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78673
PNG
(6-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(1,5-dim...)
Show SMILES Cc1c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C25H26N4O4/c1-17-22(25(33)29(27(17)2)18-11-5-3-6-12-18)26-21(30)15-7-4-10-16-28-23(31)19-13-8-9-14-20(19)24(28)32/h3,5-6,8-9,11-14H,4,7,10,15-16H2,1-2H3,(H,26,30)
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n/an/a 709n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM52609
PNG
(1-(4-hydroxyphenyl)-3-[(2-ketoindol-3-yl)amino]thi...)
Show SMILES Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1
Show InChI InChI=1S/C15H12N4O2S/c20-10-7-5-9(6-8-10)16-15(22)19-18-13-11-3-1-2-4-12(11)17-14(13)21/h1-8,20H,(H2,16,19,22)(H,17,18,21)
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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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM50073568
PNG
(6,7-Dimethoxy-2-piperazin-1-yl-quinazolin-4-ylamin...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCNCC1
Show InChI InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)
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n/an/a 873n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78619
PNG
(2-amino-N'-(2,3-dimethoxybenzylidene)-4-methyl...)
Show SMILES COc1cccc(C=NNC(=O)c2sc(N)nc2C)c1OC
Show InChI InChI=1S/C14H16N4O3S/c1-8-12(22-14(15)17-8)13(19)18-16-7-9-5-4-6-10(20-2)11(9)21-3/h4-7H,1-3H3,(H2,15,17)(H,18,19)
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n/an/a 947n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM63221
PNG
(1-[(2-ketoindol-3-yl)amino]-3-(tetrahydrofurfuryl)...)
Show SMILES O=C1N=c2ccccc2=C1NNC(=S)NCC1CCCO1
Show InChI InChI=1S/C14H16N4O2S/c19-13-12(10-5-1-2-6-11(10)16-13)17-18-14(21)15-8-9-4-3-7-20-9/h1-2,5-6,9H,3-4,7-8H2,(H2,15,18,21)(H,16,17,19)
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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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78808
PNG
(2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-iu...)
Show SMILES Fc1ccc(SCCc2cc[n+](CC(=O)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C21H19FNOS/c22-19-6-8-20(9-7-19)25-15-12-17-10-13-23(14-11-17)16-21(24)18-4-2-1-3-5-18/h1-11,13-14H,12,15-16H2/q+1
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n/an/a 1.02E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM65630
PNG
(2-[[4-(diphenylamino)phenyl]methylideneamino]guani...)
Show SMILES NC(N)=NN=Cc1ccc(cc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H19N5/c21-20(22)24-23-15-16-11-13-19(14-12-16)25(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,(H4,21,22,24)
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n/an/a 1.11E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78626
PNG
(2-Amino-4-methyl-thiazole-5-carboxylic acid (1H-in...)
Show SMILES Cc1nc(N)sc1C(=O)NN=Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C14H13N5OS/c1-8-12(21-14(15)18-8)13(20)19-17-7-9-6-16-11-5-3-2-4-10(9)11/h2-7,16H,1H3,(H2,15,18)(H,19,20)/b17-7+
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n/an/a 1.25E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM64465
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,7...)
Show SMILES COc1ccc(OC)c2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C30H34N4O5S2/c1-32(2)17-7-18-34(30-31-27-25(38-3)14-15-26(39-4)28(27)40-30)29(35)22-10-12-24(13-11-22)41(36,37)33-19-16-21-8-5-6-9-23(21)20-33/h5-6,8-15H,7,16-20H2,1-4H3
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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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78782
PNG
(4-[1-[(3-fluorophenyl)methyl]-2,4-bis(oxidanyliden...)
Show SMILES Fc1cccc(Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)c1
Show InChI InChI=1S/C31H33FN4O3/c32-25-11-6-10-24(20-25)22-36-28-13-5-4-12-27(28)30(38)35(31(36)39)17-7-14-29(37)33-26-15-18-34(19-16-26)21-23-8-2-1-3-9-23/h1-6,8-13,20,26H,7,14-19,21-22H2,(H,33,37)
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n/an/a 1.31E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78543
PNG
(MLS000087827 | N-(2-methyl-4-oxidanylidene-quinazo...)
Show SMILES CCCOc1ccc(cc1)C(=O)Nn1c(C)nc2ccccc2c1=O
Show InChI InChI=1S/C19H19N3O3/c1-3-12-25-15-10-8-14(9-11-15)18(23)21-22-13(2)20-17-7-5-4-6-16(17)19(22)24/h4-11H,3,12H2,1-2H3,(H,21,23)
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n/an/a 1.32E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78555
PNG
(6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(p...)
Show SMILES O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C25H29N3O5S/c29-23(11-3-1-8-18-28-24(30)21-9-4-5-10-22(21)25(28)31)26-19-12-14-20(15-13-19)34(32,33)27-16-6-2-7-17-27/h4-5,9-10,12-15H,1-3,6-8,11,16-18H2,(H,26,29)
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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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM65651
PNG
(4-[(Z)-[4-(4-chlorobenzyl)-3-keto-1,4-benzoxazin-2...)
Show SMILES CN1CCN(CCCNC(=O)c2ccc(\C=C3/Oc4ccccc4N(Cc4ccc(Cl)cc4)C3=O)cc2)CC1
Show InChI InChI=1S/C31H33ClN4O3/c1-34-17-19-35(20-18-34)16-4-15-33-30(37)25-11-7-23(8-12-25)21-29-31(38)36(22-24-9-13-26(32)14-10-24)27-5-2-3-6-28(27)39-29/h2-3,5-14,21H,4,15-20,22H2,1H3,(H,33,37)/b29-21-
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n/an/a 1.35E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM79201
PNG
(IK-IR | MLS002153619 | SMR001230887 | cid_24978566)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n1cc(C[C@@H](C)CC)nn1
Show InChI InChI=1S/C68H120N20O7/c1-6-45-93-47-49-95-50-48-94-46-36-75-66-76-67(85-41-37-83(38-42-85)61(89)30-21-17-13-9-11-15-19-25-33-72-63(91)59(28-23-24-32-69)87-53-57(79-81-87)51-55(4)7-2)78-68(77-66)86-43-39-84(40-44-86)62(90)31-22-18-14-10-12-16-20-26-34-73-64(92)60(29-27-35-74-65(70)71)88-54-58(80-82-88)52-56(5)8-3/h1,53-56,59-60H,7-52,69H2,2-5H3,(H,72,91)(H,73,92)(H4,70,71,74)(H,75,76,77,78)/t55-,56-,59-,60-/m0/s1
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n/an/a 1.45E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM79117
PNG
(2-[(2-keto-2-pyrrolidino-acetyl)amino]-5,5-dimethy...)
Show SMILES CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)N1CCCC1)c2C(N)=O
Show InChI InChI=1S/C16H21N3O4S/c1-16(2)7-9-10(8-23-16)24-14(11(9)12(17)20)18-13(21)15(22)19-5-3-4-6-19/h3-8H2,1-2H3,(H2,17,20)(H,18,21)
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n/an/a 1.47E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78759
PNG
(6-amino-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(2-th...)
Show SMILES COc1cc(cc(OC)c1O)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12
Show InChI InChI=1S/C19H16N4O4S/c1-25-11-6-9(7-12(26-2)17(11)24)14-10(8-20)18(21)27-19-15(14)16(22-23-19)13-4-3-5-28-13/h3-7,10,14,21,24H,1-2H3,(H,22,23)
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n/an/a 1.47E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78899
PNG
(1-(2-methoxyethyl)-3-[(5-nitro-2-oxidanylidene-ind...)
Show SMILES COCCNC(=S)N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C12H13N5O4S/c1-21-5-4-13-12(22)16-15-10-8-6-7(17(19)20)2-3-9(8)14-11(10)18/h2-3,6H,4-5H2,1H3,(H3,13,14,15,16,18,22)
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n/an/a 1.52E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM64766
PNG
(MLS001239923 | N-({2-[(2,4-dimethylphenoxy)acetyl]...)
Show SMILES Cc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)c(C)c1
Show InChI InChI=1S/C15H19N3O3S/c1-9-3-6-12(10(2)7-9)21-8-13(19)17-18-15(22)16-14(20)11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3,(H,17,19)(H2,16,18,20,22)
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n/an/a 1.59E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM79255
PNG
(MLS002153690 | RI-GK | SMR001231068 | cid_25162995)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H112N20O7/c1-5-44-89-46-48-91-49-47-90-45-35-71-62-72-63(81-40-36-79(37-41-81)56(85)29-19-15-11-7-9-13-17-24-32-68-59(87)55(28-21-23-31-65)83-50-53(4)75-77-83)74-64(73-62)82-42-38-80(39-43-82)57(86)30-20-16-12-8-10-14-18-25-33-69-60(88)58(52(3)6-2)84-51-54(76-78-84)27-22-26-34-70-61(66)67/h1,50-52,55,58H,6-49,65H2,2-4H3,(H,68,87)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t52-,55-,58-/m0/s1
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n/an/a 1.68E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM43864
PNG
(2-chloranyl-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2...)
Show SMILES Clc1cc(ccc1C(=O)Nc1ccc(cc1)C1=NCCN1)C(=O)Nc1ccc(cc1)C1=NCCN1
Show InChI InChI=1S/C26H23ClN6O2/c27-22-15-18(25(34)32-19-6-1-16(2-7-19)23-28-11-12-29-23)5-10-21(22)26(35)33-20-8-3-17(4-9-20)24-30-13-14-31-24/h1-10,15H,11-14H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)
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n/an/a 1.70E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM59086
PNG
(1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)amidino]amino]...)
Show SMILES CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC
Show InChI InChI=1S/C26H56N10/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36)
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n/an/a 1.73E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78521
PNG
(2-[4-(5-Fluoro-2-methyl-benzoimidazol-1-yl)-piperi...)
Show SMILES COc1ccccc1NC(=O)CN1CCC(CC1)n1c(C)nc2cc(F)ccc12
Show InChI InChI=1S/C22H25FN4O2/c1-15-24-19-13-16(23)7-8-20(19)27(15)17-9-11-26(12-10-17)14-22(28)25-18-5-3-4-6-21(18)29-2/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,28)
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n/an/a 1.78E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM79040
PNG
(MLS001029195 | N-[[1-(3-chlorobenzyl)-4-piperidyl]...)
Show SMILES Clc1cccc(CN2CCC(CNC(=O)C3CCCN(C3)c3ncnc4n5CCCCCc5nc34)CC2)c1
Show InChI InChI=1S/C29H38ClN7O/c30-24-8-4-6-22(16-24)18-35-14-10-21(11-15-35)17-31-29(38)23-7-5-12-36(19-23)27-26-28(33-20-32-27)37-13-3-1-2-9-25(37)34-26/h4,6,8,16,20-21,23H,1-3,5,7,9-15,17-19H2,(H,31,38)
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n/an/a 1.89E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78805
PNG
(2-amino-4-methyl-N-(3-pyridinylmethylideneamino)-5...)
Show SMILES Cc1nc(N)sc1C(=O)NN=Cc1cccnc1
Show InChI InChI=1S/C11H11N5OS/c1-7-9(18-11(12)15-7)10(17)16-14-6-8-3-2-4-13-5-8/h2-6H,1H3,(H2,12,15)(H,16,17)
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n/an/a 1.89E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78536
PNG
(4-(3-butyl-7-cyclopentyl-2,6-diketo-purin-8-yl)ben...)
Show SMILES CCCCn1c2nc(-c3ccc(cc3)C#N)n(C3CCCC3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C21H23N5O2/c1-2-3-12-25-19-17(20(27)24-21(25)28)26(16-6-4-5-7-16)18(23-19)15-10-8-14(13-22)9-11-15/h8-11,16H,2-7,12H2,1H3,(H,24,27,28)
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n/an/a 1.99E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78848
PNG
(IK-LW | MLS000562543 | SMR000391070 | cid_16196648)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C51H78N18O5.ClH/c1-6-25-72-27-29-74-30-28-73-26-16-55-49-57-50(66-21-17-64(18-22-66)47(70)44(14-10-11-15-52)68-35-43(61-63-68)46(54)37(5)7-2)59-51(58-49)67-23-19-65(20-24-67)48(71)45(33-39-32-38-12-8-9-13-41(38)56-39)69-34-42(60-62-69)40(53)31-36(3)4;/h1,8-9,12-13,32,34-37,40,44-46,56H,7,10-11,14-31,33,52-54H2,2-5H3,(H,55,57,58,59);1H/t37?,40-,44-,45-,46-;/m0./s1
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n/an/a 2.07E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51861
PNG
(IW-LK | MLS000562581 | SMR000391065 | cid_16196530)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C51H78N18O5.ClH/c1-6-25-72-27-29-74-30-28-73-26-16-55-49-57-50(66-21-17-64(18-22-66)47(70)44(14-10-11-15-52)68-34-42(60-62-68)40(53)31-36(3)4)59-51(58-49)67-23-19-65(20-24-67)48(71)45(33-39-32-38-12-8-9-13-41(38)56-39)69-35-43(61-63-69)46(54)37(5)7-2;/h1,8-9,12-13,32,34-37,40,44-46,56H,7,10-11,14-31,33,52-54H2,2-5H3,(H,55,57,58,59);1H/t37?,40-,44-,45-,46-;/m0./s1
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n/an/a 2.07E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM79188
PNG
(KG-RI | MLS002153724 | SMR001231150 | cid_24978599)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H112N20O7/c1-4-44-89-46-48-91-49-47-90-45-35-71-62-72-63(81-40-36-79(37-41-81)57(86)29-20-14-10-6-8-12-16-24-32-68-56(85)52-83-50-54(75-77-83)27-19-18-23-31-65)74-64(73-62)82-42-38-80(39-43-82)58(87)30-21-15-11-7-9-13-17-25-33-69-60(88)59(53(3)5-2)84-51-55(76-78-84)28-22-26-34-70-61(66)67/h1,50-51,53,59H,5-49,52,65H2,2-3H3,(H,68,85)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t53-,59-/m0/s1
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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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM79118
PNG
(MLS001158319 | N'-(3-aminocarbonyl-5,5-dimethyl-4,...)
Show SMILES CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)NCCCN1CCOCC1)c2C(N)=O
Show InChI InChI=1S/C19H28N4O5S/c1-19(2)10-12-13(11-28-19)29-18(14(12)15(20)24)22-17(26)16(25)21-4-3-5-23-6-8-27-9-7-23/h3-11H2,1-2H3,(H2,20,24)(H,21,25)(H,22,26)
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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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM51885
PNG
(1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl...)
Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1
Show InChI InChI=1S/C26H23N7O4/c34-25(31-19-6-1-16(2-7-19)23-27-11-12-28-23)18-5-10-21(22(15-18)33(36)37)26(35)32-20-8-3-17(4-9-20)24-29-13-14-30-24/h1-10,15H,11-14H2,(H4,27,28,29,30,31,32,34,35)
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n/an/a 2.17E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM79120
PNG
(MLS001158325 | N'-(3-aminocarbonyl-5,5-dimethyl-4,...)
Show SMILES CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)NCC1CCCO1)c2C(N)=O
Show InChI InChI=1S/C17H23N3O5S/c1-17(2)6-10-11(8-25-17)26-16(12(10)13(18)21)20-15(23)14(22)19-7-9-4-3-5-24-9/h9H,3-8H2,1-2H3,(H2,18,21)(H,19,22)(H,20,23)
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n/an/a 2.18E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM66019
PNG
(GK-IR | MLS002153614 | SMR001230882 | cid_24978568)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1
Show InChI InChI=1S/C64H112N20O7/c1-5-43-89-45-47-91-48-46-90-44-34-71-62-72-63(81-39-35-79(36-40-81)57(85)28-19-15-11-7-9-13-17-23-31-68-59(87)55(26-21-22-30-65)83-50-53(4)75-77-83)74-64(73-62)82-41-37-80(38-42-82)58(86)29-20-16-12-8-10-14-18-24-32-69-60(88)56(27-25-33-70-61(66)67)84-51-54(76-78-84)49-52(3)6-2/h1,50-52,55-56H,6-49,65H2,2-4H3,(H,68,87)(H,69,88)(H4,66,67,70)(H,71,72,73,74)/t52-,55-,56-/m0/s1
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n/an/a 2.18E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM79184
PNG
(KI-RI | MLS002153718 | SMR001231144 | cid_24983198)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H]([C@@H](C)CC)n1cc(CCCCN=C(N)N)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C68H120N20O7/c1-6-47-93-49-51-95-52-50-94-48-38-75-66-76-67(85-43-39-83(40-44-85)59(89)32-23-17-13-9-11-15-19-27-35-72-63(91)61(55(4)7-2)87-53-57(79-81-87)30-22-21-26-34-69)78-68(77-66)86-45-41-84(42-46-86)60(90)33-24-18-14-10-12-16-20-28-36-73-64(92)62(56(5)8-3)88-54-58(80-82-88)31-25-29-37-74-65(70)71/h1,53-56,61-62H,7-52,69H2,2-5H3,(H,72,91)(H,73,92)(H4,70,71,74)(H,75,76,77,78)/t55-,56-,61-,62-/m0/s1
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n/an/a 2.19E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM64773
PNG
((1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)met...)
Show SMILES NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
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n/an/a 2.20E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM79256
PNG
(KI-GK | MLS002153655 | SMR001231033 | cid_25162997)
Show SMILES CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C64H112N18O7/c1-5-45-87-47-49-89-50-48-88-46-36-69-62-70-63(79-41-37-77(38-42-79)57(83)30-21-15-11-7-9-13-17-26-34-67-60(85)56(29-23-25-33-66)81-51-54(4)73-75-81)72-64(71-62)80-43-39-78(40-44-80)58(84)31-22-16-12-8-10-14-18-27-35-68-61(86)59(53(3)6-2)82-52-55(74-76-82)28-20-19-24-32-65/h1,51-53,56,59H,6-50,65-66H2,2-4H3,(H,67,85)(H,68,86)(H,69,70,71,72)/t53-,56+,59-/m1/s1
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n/an/a 2.23E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM67694
PNG
(MLS002232301 | N'-[4-[[5-[3-[[(E)-4-(dimethylamino...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12
Show InChI InChI=1S/C33H29F2N7O4/c1-42(2)14-4-7-28(43)40-23-6-3-5-20(15-23)25-18-36-32-31(25)33(38-19-37-32)46-27-13-12-24(16-26(27)35)41-30(45)17-29(44)39-22-10-8-21(34)9-11-22/h3-13,15-16,18-19H,14,17H2,1-2H3,(H,39,44)(H,40,43)(H,41,45)(H,36,37,38)/b7-4+
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n/an/a 2.28E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM79182
PNG
(KI-KG | MLS002153714 | SMR001231140 | cid_24978583)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C64H112N18O7/c1-4-45-87-47-49-89-50-48-88-46-36-69-62-70-63(79-41-37-77(38-42-79)58(84)30-22-14-10-6-8-12-16-26-34-67-57(83)53-81-51-55(73-75-81)28-20-18-24-32-65)72-64(71-62)80-43-39-78(40-44-80)59(85)31-23-15-11-7-9-13-17-27-35-68-61(86)60(54(3)5-2)82-52-56(74-76-82)29-21-19-25-33-66/h1,51-52,54,60H,5-50,53,65-66H2,2-3H3,(H,67,83)(H,68,86)(H,69,70,71,72)/t54-,60-/m0/s1
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n/an/a 2.29E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78643
PNG
(2-[2-(4-{3-[(4-chlorobenzyl)oxy]-2-hydroxypropyl}-...)
Show SMILES OC(COCc1ccc(Cl)cc1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C28H30ClN3O4/c29-22-9-7-20(8-10-22)18-36-19-23(33)17-31-13-11-30(12-14-31)15-16-32-27(34)24-5-1-3-21-4-2-6-25(26(21)24)28(32)35/h1-10,23,33H,11-19H2
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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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78627
PNG
(1-[(Z)-[2-oxidanylidene-1-(3-oxidanylidene-1H-2-be...)
Show SMILES NC(=S)NN=C1C(=O)N(C2OC(=O)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C17H12N4O3S/c18-17(25)20-19-13-11-7-3-4-8-12(11)21(14(13)22)15-9-5-1-2-6-10(9)16(23)24-15/h1-8,15H,(H3,18,20,25)
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n/an/a 2.38E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM78670
PNG
(1-ethyl-3-[(2-oxidanylidene-5-propan-2-yl-indol-3-...)
Show SMILES CCNC(=S)NNC1=c2cc(ccc2=NC1=O)C(C)C
Show InChI InChI=1S/C14H18N4OS/c1-4-15-14(20)18-17-12-10-7-9(8(2)3)5-6-11(10)16-13(12)19/h5-8H,4H2,1-3H3,(H2,15,18,20)(H,16,17,19)
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n/an/a 2.49E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM79183
PNG
(KI-KS | MLS002153716 | SMR001231142 | cid_24978591)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C65H114N18O8/c1-4-45-89-47-49-91-50-48-90-46-36-70-63-71-64(80-41-37-78(38-42-80)58(85)30-22-14-10-6-8-12-16-26-34-68-61(87)57(53-84)82-51-55(74-76-82)28-20-18-24-32-66)73-65(72-63)81-43-39-79(40-44-81)59(86)31-23-15-11-7-9-13-17-27-35-69-62(88)60(54(3)5-2)83-52-56(75-77-83)29-21-19-25-33-67/h1,51-52,54,57,60,84H,5-50,53,66-67H2,2-3H3,(H,68,87)(H,69,88)(H,70,71,72,73)/t54-,57-,60-/m0/s1
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n/an/a 2.64E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM79137
PNG
(4-[benzyl(methyl)sulfamoyl]-N-[3-(dimethylamino)pr...)
Show SMILES CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1)c1nc2cc(C)cc(C)c2s1
Show InChI InChI=1S/C29H34N4O3S2/c1-21-18-22(2)27-26(19-21)30-29(37-27)33(17-9-16-31(3)4)28(34)24-12-14-25(15-13-24)38(35,36)32(5)20-23-10-7-6-8-11-23/h6-8,10-15,18-19H,9,16-17,20H2,1-5H3
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n/an/a 2.65E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM79177
PNG
(IK-IW | MLS000562580 | SMR000391074 | cid_25102366)
Show SMILES Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)C(C)CC
Show InChI InChI=1S/C51H78N18O5.ClH/c1-6-26-72-28-30-74-31-29-73-27-17-55-49-57-50(66-22-18-64(19-23-66)47(70)43(15-11-12-16-52)68-34-41(60-62-68)45(53)36(4)7-2)59-51(58-49)67-24-20-65(21-25-67)48(71)44(33-39-32-38-13-9-10-14-40(38)56-39)69-35-42(61-63-69)46(54)37(5)8-3;/h1,9-10,13-14,32,34-37,43-46,56H,7-8,11-12,15-31,33,52-54H2,2-5H3,(H,55,57,58,59);1H/t36?,37?,43-,44-,45-,46-;/m0./s1
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n/an/a 2.68E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM76237
PNG
(MLS002153605 | MS-IR | SMR001230873 | cid_24981563)
Show SMILES CC[C@H](C)Cc1cn(nn1)[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCSC)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-41-89-43-45-91-46-44-90-42-32-70-62-71-63(73-64(72-62)81-39-35-79(36-40-81)58(86)28-20-16-12-8-10-14-18-22-30-68-60(88)56(51-84)83-49-53(74-76-83)25-24-47-92-4)80-37-33-78(34-38-80)57(85)27-19-15-11-7-9-13-17-21-29-67-59(87)55(26-23-31-69-61(65)66)82-50-54(75-77-82)48-52(3)6-2/h1,49-50,52,55-56,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,56-/m0/s1
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n/an/a 2.68E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 353 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%