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Compile Data Set for Download or QSAR

Found 746 hits with Last Name = 'bhasin' and Initial = 'd'   
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
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50438396
PNG
(CHEMBL2414132)
Show SMILES OCCSC1=CC(=O)c2c(O)cccc2C1=O |t:4|
Show InChI InChI=1S/C12H10O4S/c13-4-5-17-10-6-9(15)11-7(12(10)16)2-1-3-8(11)14/h1-3,6,13-14H,4-5H2
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1.33E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to STAT3 SH2 domain (unknown origin) using 5-FAM-SpYLPQTV as probe assessed as inhibition of protein dimerization after 60 mins by f...


Bioorg Med Chem 21: 4662-9 (2013)


Article DOI: 10.1016/j.bmc.2013.05.017
BindingDB Entry DOI: 10.7270/Q28W3FPJ
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50438395
PNG
(CHEMBL2414123)
Show SMILES CC1=C(SCCO)C(=O)c2c(O)cccc2C1=O |c:1|
Show InChI InChI=1S/C13H12O4S/c1-7-11(16)8-3-2-4-9(15)10(8)12(17)13(7)18-6-5-14/h2-4,14-15H,5-6H2,1H3
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1.82E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to STAT3 SH2 domain (unknown origin) using 5-FAM-SpYLPQTV as probe assessed as inhibition of protein dimerization after 60 mins by f...


Bioorg Med Chem 21: 4662-9 (2013)


Article DOI: 10.1016/j.bmc.2013.05.017
BindingDB Entry DOI: 10.7270/Q28W3FPJ
More data for this
Ligand-Target Pair
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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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)
BDBM519034
PNG
(US11116757, No. B21)
Show SMILES Cc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
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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)
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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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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n/an/a 4.30n/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)
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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n/an/a 35n/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)
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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n/an/a 53n/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)
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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n/an/a 55.9n/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)
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)
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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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
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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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)
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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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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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
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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)
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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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
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM518729
PNG
(US11116757, No. A27)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1cccc(NS(=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
DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12


(Homo sapiens)
BDBM50245238
PNG
(CHEMBL4103413 | US11116757, No. A28)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C24H32ClN3O/c1-3-4-14-27-15-12-22(13-16-27)28(18-20-8-6-5-7-9-20)24(29)26-21-11-10-19(2)23(25)17-21/h5-11,17,22H,3-4,12-16,18H2,1-2H3,(H,26,29)
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n/an/a 166n/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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