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Compile Data Set for Download or QSAR

Found 824 hits with Last Name = 'scott' and Initial = 'dc'   
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
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518898
PNG
(US11116757, No. A193)
Show SMILES CCCC1CCC(CC1)N(Cc1ccccc1)C(=O)c1cccc(c1)C(F)(F)F |(4.67,-5,;3.33,-4.23,;3.33,-2.69,;2,-1.93,;.67,-2.69,;-.67,-1.93,;-.67,-.38,;.67,.38,;2,-.38,;-2,.38,;-3.33,-.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-2,1.93,;-3.33,2.69,;-.67,2.69,;-.67,4.23,;.67,5,;2,4.23,;2,2.69,;.67,1.93,;3.33,1.93,;4.67,2.69,;3.33,.38,;4.67,1.15,)|
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n/an/a<2.90n/an/an/an/an/an/a


TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM519032
PNG
(US11116757, No. B19)
Show SMILES Cc1ccc2[nH]c(nc2c1)C1CCN(Cc2cccc(c2)C(F)(F)F)CC1
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50079170
PNG
(1-(1-Benzyl-piperidin-4-yl)-3-phenyl-urea | CHEMBL...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O/c23-19(20-17-9-5-2-6-10-17)21-18-11-13-22(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H2,20,21,23)
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n/an/a<4.10n/an/an/an/an/an/a


TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM519034
PNG
(US11116757, No. B21)
Show SMILES Cc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518647
PNG
(US11116757, No. A1)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1cccc(CNS(=O)(=O)C=C)c1)C(=O)Nc1cccc(c1)C(F)(F)F
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
NEDD8-activating enzyme E1 catalytic subunit


(Homo sapiens)
BDBM50285607
PNG
(MLN-4924 | MLN-4924003 | Pevonedistat)
Show SMILES [H][C@]1(O)C[C@@]([H])(C[C@@]1([H])COS(N)(=O)=O)n1ccc2c(N[C@@]3([H])CCc4ccccc34)ncnc12 |r|
Show InChI InChI=1S/C21H25N5O4S/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/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged NAE1 expressed in baculovirus expression system after 90 mins in presence of FLAG-tagged NEDD8 by TR-FRET ...


J Med Chem 61: 2680-2693 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01277
BindingDB Entry DOI: 10.7270/Q29K4DVZ
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518656
PNG
(US11116757, No. A2)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1CNS(=O)(=O)C=C)C(=O)Nc1cccc(c1)C(F)(F)F
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50245154
PNG
(CHEMBL4067795 | US11116757, No. A10)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N3O/c1-3-9-22(2)30-18-16-27(17-19-30)31(21-23-10-5-4-6-11-23)28(32)29-26-15-14-24-12-7-8-13-25(24)20-26/h4-8,10-15,20,22,27H,3,9,16-19,21H2,1-2H3,(H,29,32)
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n/an/a 18n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor using N-[3H] cyclohexyladenosine in rat forebrain membranes


J Med Chem 61: 2694-2706 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01282
BindingDB Entry DOI: 10.7270/Q22V2JHZ
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518671
PNG
(US11116757, No. A3)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1cccc(CNC(=O)C=C)c1)C(=O)Nc1cccc(c1)C(F)(F)F
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50245227
PNG
(CHEMBL4077431 | US11116757, No. A4)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(I)cc1
Show InChI InChI=1S/C24H32IN3O/c1-3-7-19(2)27-16-14-23(15-17-27)28(18-20-8-5-4-6-9-20)24(29)26-22-12-10-21(25)11-13-22/h4-6,8-13,19,23H,3,7,14-18H2,1-2H3,(H,26,29)
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50245237
PNG
(CHEMBL4074213 | US11116757, No. A7)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H29Cl2N3O/c1-2-3-13-27-14-11-20(12-15-27)28(17-18-7-5-4-6-8-18)23(29)26-19-9-10-21(24)22(25)16-19/h4-10,16,20H,2-3,11-15,17H2,1H3,(H,26,29)
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n/an/a 45n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of biotin-labeled DCN1 (unknown origin) assessed as reduction in protein interaction with Ac-UBE2M12-AlexaFluor488 after 1 hr by TR-FRET a...


J Med Chem 61: 2694-2706 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01282
BindingDB Entry DOI: 10.7270/Q22V2JHZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DCN1-like protein 1


(Homo sapiens)
BDBM50245225
PNG
(CHEMBL4099097 | US11116757, No. A15)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O/c1-3-8-19(2)30-15-13-23(14-16-30)31(18-20-9-5-4-6-10-20)24(32)29-22-12-7-11-21(17-22)25(26,27)28/h4-7,9-12,17,19,23H,3,8,13-16,18H2,1-2H3,(H,29,32)
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n/an/a 50n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of biotin-labeled DCN1 (unknown origin) assessed as reduction in protein interaction with Ac-UBE2M12-AlexaFluor488 after 1 hr by TR-FRET a...


J Med Chem 61: 2694-2706 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01282
BindingDB Entry DOI: 10.7270/Q22V2JHZ
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50245225
PNG
(CHEMBL4099097 | US11116757, No. A15)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O/c1-3-8-19(2)30-15-13-23(14-16-30)31(18-20-9-5-4-6-10-20)24(32)29-22-12-7-11-21(17-22)25(26,27)28/h4-7,9-12,17,19,23H,3,8,13-16,18H2,1-2H3,(H,29,32)
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50245225
PNG
(CHEMBL4099097 | US11116757, No. A15)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O/c1-3-8-19(2)30-15-13-23(14-16-30)31(18-20-9-5-4-6-10-20)24(32)29-22-12-7-11-21(17-22)25(26,27)28/h4-7,9-12,17,19,23H,3,8,13-16,18H2,1-2H3,(H,29,32)
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50245227
PNG
(CHEMBL4077431 | US11116757, No. A4)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(I)cc1
Show InChI InChI=1S/C24H32IN3O/c1-3-7-19(2)27-16-14-23(15-17-27)28(18-20-8-5-4-6-9-20)24(29)26-22-12-10-21(25)11-13-22/h4-6,8-13,19,23H,3,7,14-18H2,1-2H3,(H,26,29)
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n/an/a 54n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of biotin-labeled DCN1 (unknown origin) assessed as reduction in protein interaction with Ac-UBE2M12-AlexaFluor488 after 1 hr by TR-FRET a...


J Med Chem 61: 2694-2706 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01282
BindingDB Entry DOI: 10.7270/Q22V2JHZ
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50245131
PNG
(CHEMBL4094517 | US11116757, No. A5)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C24H32BrN3O/c1-3-7-19(2)27-16-14-23(15-17-27)28(18-20-8-5-4-6-9-20)24(29)26-22-12-10-21(25)11-13-22/h4-6,8-13,19,23H,3,7,14-18H2,1-2H3,(H,26,29)
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50245148
PNG
(CHEMBL4077759 | US11116757, No. A6)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H31F4N3O/c1-3-7-18(2)31-12-10-23(11-13-31)32(17-19-8-5-4-6-9-19)24(33)30-22-15-20(25(27,28)29)14-21(26)16-22/h4-6,8-9,14-16,18,23H,3,7,10-13,17H2,1-2H3,(H,30,33)
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n/an/a 58n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of biotin-labeled DCN1 (unknown origin) assessed as reduction in protein interaction with Ac-UBE2M12-AlexaFluor488 after 1 hr by TR-FRET a...


J Med Chem 61: 2694-2706 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01282
BindingDB Entry DOI: 10.7270/Q22V2JHZ
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50245148
PNG
(CHEMBL4077759 | US11116757, No. A6)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H31F4N3O/c1-3-7-18(2)31-12-10-23(11-13-31)32(17-19-8-5-4-6-9-19)24(33)30-22-15-20(25(27,28)29)14-21(26)16-22/h4-6,8-9,14-16,18,23H,3,7,10-13,17H2,1-2H3,(H,30,33)
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50245225
PNG
(CHEMBL4099097 | US11116757, No. A15)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O/c1-3-8-19(2)30-15-13-23(14-16-30)31(18-20-9-5-4-6-10-20)24(32)29-22-12-7-11-21(17-22)25(26,27)28/h4-7,9-12,17,19,23H,3,8,13-16,18H2,1-2H3,(H,29,32)
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n/an/a 62n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity biotinylated human GST-tagged DCN1 assessed as inhibition of protein interaction with AlexaFluor 488-tagged and N-terminally acetyla...


J Med Chem 61: 2680-2693 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01277
BindingDB Entry DOI: 10.7270/Q29K4DVZ
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50245131
PNG
(CHEMBL4094517 | US11116757, No. A5)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C24H32BrN3O/c1-3-7-19(2)27-16-14-23(15-17-27)28(18-20-8-5-4-6-9-20)24(29)26-22-12-10-21(25)11-13-22/h4-6,8-13,19,23H,3,7,14-18H2,1-2H3,(H,26,29)
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n/an/a 68n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of biotin-labeled DCN1 (unknown origin) assessed as reduction in protein interaction with Ac-UBE2M12-AlexaFluor488 after 1 hr by TR-FRET a...


J Med Chem 61: 2694-2706 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01282
BindingDB Entry DOI: 10.7270/Q22V2JHZ
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50245237
PNG
(CHEMBL4074213 | US11116757, No. A7)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H29Cl2N3O/c1-2-3-13-27-14-11-20(12-15-27)28(17-18-7-5-4-6-8-18)23(29)26-19-9-10-21(24)22(25)16-19/h4-10,16,20H,2-3,11-15,17H2,1H3,(H,26,29)
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n/an/a 76.5n/an/an/an/an/an/a


TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


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BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50245153
PNG
(CHEMBL4078685 | US11116757, No. A8)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc2CCCc2c1
Show InChI InChI=1S/C27H37N3O/c1-3-8-21(2)29-17-15-26(16-18-29)30(20-22-9-5-4-6-10-22)27(31)28-25-14-13-23-11-7-12-24(23)19-25/h4-6,9-10,13-14,19,21,26H,3,7-8,11-12,15-18,20H2,1-2H3,(H,28,31)
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n/an/a 76.7n/an/an/an/an/an/a


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Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50245153
PNG
(CHEMBL4078685 | US11116757, No. A8)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc2CCCc2c1
Show InChI InChI=1S/C27H37N3O/c1-3-8-21(2)29-17-15-26(16-18-29)30(20-22-9-5-4-6-10-22)27(31)28-25-14-13-23-11-7-12-24(23)19-25/h4-6,9-10,13-14,19,21,26H,3,7-8,11-12,15-18,20H2,1-2H3,(H,28,31)
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n/an/a 77n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of biotin-labeled DCN1 (unknown origin) assessed as reduction in protein interaction with Ac-UBE2M12-AlexaFluor488 after 1 hr by TR-FRET a...


J Med Chem 61: 2694-2706 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01282
BindingDB Entry DOI: 10.7270/Q22V2JHZ
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518705
PNG
(US11116757, No. A9)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccc2OCOc2c1)C(=O)Nc1ccc(Cl)c(Cl)c1
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Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50245154
PNG
(CHEMBL4067795 | US11116757, No. A10)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N3O/c1-3-9-22(2)30-18-16-27(17-19-30)31(21-23-10-5-4-6-11-23)28(32)29-26-15-14-24-12-7-8-13-25(24)20-26/h4-8,10-15,20,22,27H,3,9,16-19,21H2,1-2H3,(H,29,32)
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50245140
PNG
(CHEMBL4103209 | US11116757, No. A11)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H31ClN4O3/c1-3-7-18(2)27-14-12-21(13-15-27)28(17-19-8-5-4-6-9-19)24(30)26-20-10-11-22(25)23(16-20)29(31)32/h4-6,8-11,16,18,21H,3,7,12-15,17H2,1-2H3,(H,26,30)
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Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50245140
PNG
(CHEMBL4103209 | US11116757, No. A11)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H31ClN4O3/c1-3-7-18(2)27-14-12-21(13-15-27)28(17-19-8-5-4-6-9-19)24(30)26-20-10-11-22(25)23(16-20)29(31)32/h4-6,8-11,16,18,21H,3,7,12-15,17H2,1-2H3,(H,26,30)
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n/an/a 82n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of biotin-labeled DCN1 (unknown origin) assessed as reduction in protein interaction with Ac-UBE2M12-AlexaFluor488 after 1 hr by TR-FRET a...


J Med Chem 61: 2694-2706 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01282
BindingDB Entry DOI: 10.7270/Q22V2JHZ
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518708
PNG
(US11116757, No. A12)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(OC(F)(F)F)c1
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n/an/a 82.7n/an/an/an/an/an/a


TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50245130
PNG
(CHEMBL4086099 | US11116757, No. A13)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C24H32ClN3O/c1-3-7-19(2)27-16-14-23(15-17-27)28(18-20-8-5-4-6-9-20)24(29)26-22-12-10-21(25)11-13-22/h4-6,8-13,19,23H,3,7,14-18H2,1-2H3,(H,26,29)
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518710
PNG
(US11116757, No. A14)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(SC(F)(F)F)cc1
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Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50245225
PNG
(CHEMBL4099097 | US11116757, No. A15)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O/c1-3-8-19(2)30-15-13-23(14-16-30)31(18-20-9-5-4-6-10-20)24(32)29-22-12-7-11-21(17-22)25(26,27)28/h4-7,9-12,17,19,23H,3,8,13-16,18H2,1-2H3,(H,29,32)
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n/an/a 88.5n/an/an/an/an/an/a


TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518714
PNG
(US11116757, No. A16)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1cccnc1)C(=O)Nc1ccc(Cl)c(Cl)c1
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518715
PNG
(US11116757, No. A17)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1cccc(NC(=O)CCl)c1)C(=O)Nc1cccc(c1)C(F)(F)F
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n/an/a 95.1n/an/an/an/an/an/a


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Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50460825
PNG
(CHEMBL4102019 | US11116757, No. A21)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H30F3N3O/c1-2-3-14-29-15-12-22(13-16-29)30(18-19-8-5-4-6-9-19)23(31)28-21-11-7-10-20(17-21)24(25,26)27/h4-11,17,22H,2-3,12-16,18H2,1H3,(H,28,31)
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50576267
PNG
(CHEMBL4876194)
Show SMILES CCN1c2c([C@@H]([C@H](NC(=O)c3cccc(c3)C(F)(F)F)C1=O)c1ccc(F)cc1)c(CN)nn2-c1ccccc1 |r|
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n/an/a 110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DCN1 (unknown origin) dependent cullin neddylation assessed as decrease in NEDD8 transfer from UBE2M to CUL2 using CUL2 as substrate pr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00035
BindingDB Entry DOI: 10.7270/Q2QC07CR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50460825
PNG
(CHEMBL4102019 | US11116757, No. A21)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H30F3N3O/c1-2-3-14-29-15-12-22(13-16-29)30(18-19-8-5-4-6-9-19)23(31)28-21-11-7-10-20(17-21)24(25,26)27/h4-11,17,22H,2-3,12-16,18H2,1H3,(H,28,31)
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518716
PNG
(US11116757, No. A18)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1cccc(NC(=O)C=C)c1)C(=O)Nc1cccc(c1)C(F)(F)F
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50245130
PNG
(CHEMBL4086099 | US11116757, No. A13)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C24H32ClN3O/c1-3-7-19(2)27-16-14-23(15-17-27)28(18-20-8-5-4-6-9-20)24(29)26-22-12-10-21(25)11-13-22/h4-6,8-13,19,23H,3,7,14-18H2,1-2H3,(H,26,29)
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n/an/a 112n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of biotin-labeled DCN1 (unknown origin) assessed as reduction in protein interaction with Ac-UBE2M12-AlexaFluor488 after 1 hr by TR-FRET a...


J Med Chem 61: 2694-2706 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01282
BindingDB Entry DOI: 10.7270/Q22V2JHZ
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518720
PNG
(US11116757, No. A20)
Show SMILES CCCCN(C1CCN(CC1)C(C)CCC)C(=O)Nc1ccc(Cl)c(Cl)c1
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518718
PNG
(US11116757, No. A19)
Show SMILES CCCCCCc1ccc(NC(=O)N(Cc2ccccc2)C2CCN(CC2)C(C)CCC)cc1
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TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50460825
PNG
(CHEMBL4102019 | US11116757, No. A21)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H30F3N3O/c1-2-3-14-29-15-12-22(13-16-29)30(18-19-8-5-4-6-9-19)23(31)28-21-11-7-10-20(17-21)24(25,26)27/h4-11,17,22H,2-3,12-16,18H2,1H3,(H,28,31)
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Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50460827
PNG
(CHEMBL4077751 | US11116757, No. A43)
Show SMILES FC(F)(F)c1cccc(NC(=O)N(Cc2ccccc2)C2CCN(CC3CC3)CC2)c1
Show InChI InChI=1S/C24H28F3N3O/c25-24(26,27)20-7-4-8-21(15-20)28-23(31)30(17-18-5-2-1-3-6-18)22-11-13-29(14-12-22)16-19-9-10-19/h1-8,15,19,22H,9-14,16-17H2,(H,28,31)
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Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518722
PNG
(US11116757, No. A22)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
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Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50460853
PNG
(CHEMBL4229003 | US11116757, No. A37)
Show SMILES CC(C)CCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O/c1-19(2)11-14-30-15-12-23(13-16-30)31(18-20-7-4-3-5-8-20)24(32)29-22-10-6-9-21(17-22)25(26,27)28/h3-10,17,19,23H,11-16,18H2,1-2H3,(H,29,32)
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Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518725
PNG
(US11116757, No. A23)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(Cc2ccccc2)c1
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n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50460806
PNG
(CHEMBL4226555 | US11116757, No. A88)
Show SMILES CCCCS(=O)(=O)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H30F3N3O3S/c1-2-3-16-34(32,33)29-14-12-22(13-15-29)30(18-19-8-5-4-6-9-19)23(31)28-21-11-7-10-20(17-21)24(25,26)27/h4-11,17,22H,2-3,12-16,18H2,1H3,(H,28,31)
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n/an/a 140n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity biotinylated human GST-tagged DCN1 assessed as inhibition of protein interaction with AlexaFluor 488-tagged and N-terminally acetyla...


J Med Chem 61: 2680-2693 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01277
BindingDB Entry DOI: 10.7270/Q29K4DVZ
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518822
PNG
(US11116757, No. A118)
Show SMILES CC(C1CCC1)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F
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n/an/a 143n/an/an/an/an/an/a


TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518726
PNG
(US11116757, No. A24)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1CNC(=O)CCl)C(=O)Nc1cccc(c1)C(F)(F)F
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n/an/a 154n/an/an/an/an/an/a


TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518727
PNG
(US11116757, No. A25)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)S(F)(F)(F)(F)F
PDB

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n/an/a 155n/an/an/an/an/an/a


TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50245223
PNG
(CHEMBL4085483 | US11116757, No. A26)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H29F4N3O/c1-2-3-13-30-14-11-20(12-15-30)31(17-18-7-5-4-6-8-18)23(32)29-19-9-10-22(25)21(16-19)24(26,27)28/h4-10,16,20H,2-3,11-15,17H2,1H3,(H,29,32)
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Similars

US Patent
n/an/a 163n/an/an/an/an/an/a


TBA

Assay Description
The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UB...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2736V2B
More data for this
Ligand-Target Pair
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