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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50000287   
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


(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


(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


(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


(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


(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


(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


(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


(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


(Homo sapiens)
BDBM50245228
PNG
(CHEMBL4065355 | US11116757, No. A42)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(C)c(F)c1
Show InChI InChI=1S/C25H34FN3O/c1-4-8-20(3)28-15-13-23(14-16-28)29(18-21-9-6-5-7-10-21)25(30)27-22-12-11-19(2)24(26)17-22/h5-7,9-12,17,20,23H,4,8,13-16,18H2,1-3H3,(H,27,30)
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n/an/a 241n/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


(Homo sapiens)
BDBM50245156
PNG
(CHEMBL4079749 | US11116757, No. A45)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C24H29F4N3O/c1-2-3-11-30-12-9-22(10-13-30)31(17-18-7-5-4-6-8-18)23(32)29-21-15-19(24(26,27)28)14-20(25)16-21/h4-8,14-16,22H,2-3,9-13,17H2,1H3,(H,29,32)
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n/an/a 256n/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


(Homo sapiens)
BDBM50245142
PNG
(CHEMBL4105639 | US11116757, No. A47)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H31F3N4O/c1-3-7-19(2)32-14-12-23(13-15-32)33(18-20-8-5-4-6-9-20)25(34)31-22-11-10-21(17-30)24(16-22)26(27,28)29/h4-6,8-11,16,19,23H,3,7,12-15,18H2,1-2H3,(H,31,34)
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n/an/a 260n/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


(Homo sapiens)
BDBM50245143
PNG
(CHEMBL4087755 | US11116757, No. A57)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H31F4N3O/c1-3-7-18(2)31-14-12-21(13-15-31)32(17-19-8-5-4-6-9-19)24(33)30-20-10-11-23(26)22(16-20)25(27,28)29/h4-6,8-11,16,18,21H,3,7,12-15,17H2,1-2H3,(H,30,33)
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n/an/a 290n/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


(Homo sapiens)
BDBM50245117
PNG
(CHEMBL4077301 | US11116757, No. A35)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C24H32ClN3O/c1-3-8-19(2)27-15-13-23(14-16-27)28(18-20-9-5-4-6-10-20)24(29)26-22-12-7-11-21(25)17-22/h4-7,9-12,17,19,23H,3,8,13-16,18H2,1-2H3,(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


(Homo sapiens)
BDBM50245118
PNG
(CHEMBL4064579 | US11116757, No. A41)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O/c1-3-7-19(2)30-16-14-23(15-17-30)31(18-20-8-5-4-6-9-20)24(32)29-22-12-10-21(11-13-22)25(26,27)28/h4-6,8-13,19,23H,3,7,14-18H2,1-2H3,(H,29,32)
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n/an/a 314n/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


(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 325n/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


(Homo sapiens)
BDBM50245226
PNG
(CHEMBL4093853 | US11116757, No. A33)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C(C)C
Show InChI InChI=1S/C27H39N3O/c1-5-10-22(4)29-17-15-26(16-18-29)30(20-23-11-7-6-8-12-23)27(31)28-25-14-9-13-24(19-25)21(2)3/h6-9,11-14,19,21-22,26H,5,10,15-18,20H2,1-4H3,(H,28,31)
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n/an/a 353n/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


(Homo sapiens)
BDBM50245132
PNG
(CHEMBL4102261 | US11116757, No. A50)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C25H35N3O/c1-4-8-21(3)27-17-15-24(16-18-27)28(19-22-9-6-5-7-10-22)25(29)26-23-13-11-20(2)12-14-23/h5-7,9-14,21,24H,4,8,15-19H2,1-3H3,(H,26,29)
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n/an/a 356n/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


(Homo sapiens)
BDBM50245210
PNG
(CHEMBL4093655 | US11116757, No. A60)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C23H30ClN3O/c1-2-3-14-26-15-12-22(13-16-26)27(18-19-8-5-4-6-9-19)23(28)25-21-11-7-10-20(24)17-21/h4-11,17,22H,2-3,12-16,18H2,1H3,(H,25,28)
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n/an/a 358n/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


(Homo sapiens)
BDBM50245229
PNG
(CHEMBL4102027 | US11116757, No. A67)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cc(F)cc(Cl)c1
Show InChI InChI=1S/C24H31ClFN3O/c1-3-7-18(2)28-12-10-23(11-13-28)29(17-19-8-5-4-6-9-19)24(30)27-22-15-20(25)14-21(26)16-22/h4-6,8-9,14-16,18,23H,3,7,10-13,17H2,1-2H3,(H,27,30)
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n/an/a 481n/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


(Homo sapiens)
BDBM50245214
PNG
(CHEMBL4065590 | US11116757, No. A70)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C24H29F4N3O/c1-2-3-14-30-15-12-19(13-16-30)31(17-18-8-5-4-6-9-18)23(32)29-21-11-7-10-20(22(21)25)24(26,27)28/h4-11,19H,2-3,12-17H2,1H3,(H,29,32)
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n/an/a 583n/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


(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 612n/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


(Homo sapiens)
BDBM50245152
PNG
(CHEMBL4096706 | US11116757, No. A73)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc2ncsc2c1
Show InChI InChI=1S/C25H32N4OS/c1-3-7-19(2)28-14-12-22(13-15-28)29(17-20-8-5-4-6-9-20)25(30)27-21-10-11-23-24(16-21)31-18-26-23/h4-6,8-11,16,18-19,22H,3,7,12-15,17H2,1-2H3,(H,27,30)
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n/an/a 626n/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


(Homo sapiens)
BDBM50245133
PNG
(CHEMBL4084296 | US11116757, No. A74)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(cc1)C(C)C
Show InChI InChI=1S/C27H39N3O/c1-5-9-22(4)29-18-16-26(17-19-29)30(20-23-10-7-6-8-11-23)27(31)28-25-14-12-24(13-15-25)21(2)3/h6-8,10-15,21-22,26H,5,9,16-20H2,1-4H3,(H,28,31)
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n/an/a 654n/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


(Homo sapiens)
BDBM50245141
PNG
(CHEMBL4086785 | US11116757, No. A80)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C24H31F2N3O/c1-3-7-18(2)28-14-12-21(13-15-28)29(17-19-8-5-4-6-9-19)24(30)27-20-10-11-22(25)23(26)16-20/h4-6,8-11,16,18,21H,3,7,12-15,17H2,1-2H3,(H,27,30)
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n/an/a 817n/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


(Homo sapiens)
BDBM50245231
PNG
(CHEMBL4089008 | US11116757, No. A86)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C25H33N3O3/c1-3-7-19(2)27-14-12-22(13-15-27)28(17-20-8-5-4-6-9-20)25(29)26-21-10-11-23-24(16-21)31-18-30-23/h4-6,8-11,16,19,22H,3,7,12-15,17-18H2,1-2H3,(H,26,29)
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n/an/a 990n/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


(Homo sapiens)
BDBM50245224
PNG
(CHEMBL4075257 | US11116757, No. A89)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C23H29ClFN3O/c1-2-3-13-27-14-11-20(12-15-27)28(17-18-7-5-4-6-8-18)23(29)26-19-9-10-22(25)21(24)16-19/h4-10,16,20H,2-3,11-15,17H2,1H3,(H,26,29)
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n/an/a 1.09E+3n/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


(Homo sapiens)
BDBM50245115
PNG
(CHEMBL4062267 | US11116757, No. A95)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C24H33N3O/c1-3-4-15-26-16-13-23(14-17-26)27(19-21-10-6-5-7-11-21)24(28)25-22-12-8-9-20(2)18-22/h5-12,18,23H,3-4,13-17,19H2,1-2H3,(H,25,28)
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n/an/a 1.30E+3n/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


(Homo sapiens)
BDBM50245116
PNG
(CHEMBL4101581 | US11116757, No. A72)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C24H32FN3O/c1-3-8-19(2)27-15-13-23(14-16-27)28(18-20-9-5-4-6-10-20)24(29)26-22-12-7-11-21(25)17-22/h4-7,9-12,17,19,23H,3,8,13-16,18H2,1-2H3,(H,26,29)
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n/an/a 1.69E+3n/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


(Homo sapiens)
BDBM50245139
PNG
(CHEMBL4078934 | US11116757, No. A100)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H41N3O/c1-6-10-22(2)30-19-17-26(18-20-30)31(21-23-11-8-7-9-12-23)27(32)29-25-15-13-24(14-16-25)28(3,4)5/h7-9,11-16,22,26H,6,10,17-21H2,1-5H3,(H,29,32)
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n/an/a 1.72E+3n/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


(Homo sapiens)
BDBM50245232
PNG
(CHEMBL4066268 | US11116757, No. A126)
Show SMILES CSC(C)CCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H31F4N3OS/c1-18(34-2)8-11-31-12-9-23(10-13-31)32(17-19-6-4-3-5-7-19)24(33)30-22-15-20(25(27,28)29)14-21(26)16-22/h3-7,14-16,18,23H,8-13,17H2,1-2H3,(H,30,33)
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n/an/a 1.79E+3n/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


(Homo sapiens)
BDBM50245211
PNG
(CHEMBL4090274 | US11116757, No. A104)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H30N4O3/c1-2-3-14-25-15-12-21(13-16-25)26(18-19-8-5-4-6-9-19)23(28)24-20-10-7-11-22(17-20)27(29)30/h4-11,17,21H,2-3,12-16,18H2,1H3,(H,24,28)
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n/an/a 1.85E+3n/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


(Homo sapiens)
BDBM50245173
PNG
(CHEMBL4087623 | US11116757, No. A133)
Show SMILES Fc1cc(NC(=O)N(Cc2ccccc2)C2CCN(CCCc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H31F4N3O/c30-25-18-24(29(31,32)33)19-26(20-25)34-28(37)36(21-23-10-5-2-6-11-23)27-13-16-35(17-14-27)15-7-12-22-8-3-1-4-9-22/h1-6,8-11,18-20,27H,7,12-17,21H2,(H,34,37)
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n/an/a 3.21E+3n/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


(Homo sapiens)
BDBM50245236
PNG
(CHEMBL4066082 | US11116757, No. A136)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C23H30FN3O/c1-2-3-14-26-15-12-22(13-16-26)27(18-19-8-5-4-6-9-19)23(28)25-21-11-7-10-20(24)17-21/h4-11,17,22H,2-3,12-16,18H2,1H3,(H,25,28)
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n/an/a 3.57E+3n/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


(Homo sapiens)
BDBM50245212
PNG
(CHEMBL4100965 | US11116757, No. A242)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C24H30N4O/c1-2-3-14-27-15-12-23(13-16-27)28(19-20-8-5-4-6-9-20)24(29)26-22-11-7-10-21(17-22)18-25/h4-11,17,23H,2-3,12-16,19H2,1H3,(H,26,29)
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n/an/a 4.25E+3n/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


(Homo sapiens)
BDBM50245213
PNG
(CHEMBL4069860 | US11116757, No. A142)
Show SMILES CCCCN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cc(F)cc(F)c1
Show InChI InChI=1S/C23H29F2N3O/c1-2-3-11-27-12-9-22(10-13-27)28(17-18-7-5-4-6-8-18)23(29)26-21-15-19(24)14-20(25)16-21/h4-8,14-16,22H,2-3,9-13,17H2,1H3,(H,26,29)
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n/an/a 4.27E+3n/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


(Homo sapiens)
BDBM50245207
PNG
(CHEMBL4084962 | US11116757, No. A143)
Show SMILES Fc1cc(NC(=O)N(Cc2ccccc2)C2CCN(C\C=C\c3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F4N3O/c30-25-18-24(29(31,32)33)19-26(20-25)34-28(37)36(21-23-10-5-2-6-11-23)27-13-16-35(17-14-27)15-7-12-22-8-3-1-4-9-22/h1-12,18-20,27H,13-17,21H2,(H,34,37)/b12-7+
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n/an/a 4.27E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


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


(Homo sapiens)
BDBM50245176
PNG
(CHEMBL4103074 | US11116757, No. A144)
Show SMILES Fc1cc(NC(=O)N(Cc2ccccc2)C2CCN(CC3CCOC3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H29F4N3O2/c26-21-12-20(25(27,28)29)13-22(14-21)30-24(33)32(16-18-4-2-1-3-5-18)23-6-9-31(10-7-23)15-19-8-11-34-17-19/h1-5,12-14,19,23H,6-11,15-17H2,(H,30,33)
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n/an/a 4.49E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


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


(Homo sapiens)
BDBM50245149
PNG
(CHEMBL4066771 | US11116757, No. A154)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C25H31F4N3O/c1-3-7-18(2)31-14-12-21(13-15-31)32(17-19-8-5-4-6-9-19)24(33)30-23-16-20(25(27,28)29)10-11-22(23)26/h4-6,8-11,16,18,21H,3,7,12-15,17H2,1-2H3,(H,30,33)
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n/an/a 7.44E+3n/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


(Homo sapiens)
BDBM50245151
PNG
(CHEMBL4104429 | US11116757, No. A165)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Br)cc1C
Show InChI InChI=1S/C25H34BrN3O/c1-4-8-20(3)28-15-13-23(14-16-28)29(18-21-9-6-5-7-10-21)25(30)27-24-12-11-22(26)17-19(24)2/h5-7,9-12,17,20,23H,4,8,13-16,18H2,1-3H3,(H,27,30)
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n/an/a 9.43E+3n/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


(Homo sapiens)
BDBM50245230
PNG
(CHEMBL4086530 | US11116757, No. A178)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc(nc1C)C(F)(F)F
Show InChI InChI=1S/C25H33F3N4O/c1-4-8-18(2)31-15-13-21(14-16-31)32(17-20-9-6-5-7-10-20)24(33)30-22-11-12-23(25(26,27)28)29-19(22)3/h5-7,9-12,18,21H,4,8,13-17H2,1-3H3,(H,30,33)
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n/an/a 1.33E+4n/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


(Homo sapiens)
BDBM50245155
PNG
(CHEMBL4104015 | US11116757, No. A207)
Show SMILES CCCC(C)N1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C27H34N4O/c1-3-8-21(2)30-17-14-25(15-18-30)31(20-22-9-5-4-6-10-22)27(32)29-24-12-13-26-23(19-24)11-7-16-28-26/h4-7,9-13,16,19,21,25H,3,8,14-15,17-18,20H2,1-2H3,(H,29,32)
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n/an/a>2.00E+4n/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


(Homo sapiens)
BDBM50245209
PNG
(CHEMBL4085911 | US11116757, No. A205)
Show SMILES Cn1ccc2cc(CN3CCC(CC3)N(Cc3ccccc3)C(=O)Nc3cc(F)cc(c3)C(F)(F)F)ccc12
Show InChI InChI=1S/C30H30F4N4O/c1-36-12-9-23-15-22(7-8-28(23)36)19-37-13-10-27(11-14-37)38(20-21-5-3-2-4-6-21)29(39)35-26-17-24(30(32,33)34)16-25(31)18-26/h2-9,12,15-18,27H,10-11,13-14,19-20H2,1H3,(H,35,39)
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n/an/a>2.10E+4n/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


(Homo sapiens)
BDBM50245208
PNG
(CHEMBL4103836 | US11116757, No. A211)
Show SMILES Fc1cc(NC(=O)N(Cc2ccccc2)C2CCN(Cc3ccc(Cc4ccccc4)cc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C34H33F4N3O/c35-30-20-29(34(36,37)38)21-31(22-30)39-33(42)41(24-27-9-5-2-6-10-27)32-15-17-40(18-16-32)23-28-13-11-26(12-14-28)19-25-7-3-1-4-8-25/h1-14,20-22,32H,15-19,23-24H2,(H,39,42)
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n/an/a>2.20E+4n/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


(Homo sapiens)
BDBM50245175
PNG
(CHEMBL4095324 | US11116757, No. A219)
Show SMILES Cc1ccc(CN2CCC(CC2)N(Cc2ccccc2)C(=O)Nc2cc(F)cc(c2)C(F)(F)F)o1
Show InChI InChI=1S/C26H27F4N3O2/c1-18-7-8-24(35-18)17-32-11-9-23(10-12-32)33(16-19-5-3-2-4-6-19)25(34)31-22-14-20(26(28,29)30)13-21(27)15-22/h2-8,13-15,23H,9-12,16-17H2,1H3,(H,31,34)
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n/an/a>2.40E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


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


(Homo sapiens)
BDBM50245174
PNG
(CHEMBL4074885 | US11116757, No. A221)
Show SMILES Cn1cncc1CN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C25H27F4N5O/c1-32-17-30-14-23(32)16-33-9-7-22(8-10-33)34(15-18-5-3-2-4-6-18)24(35)31-21-12-19(25(27,28)29)11-20(26)13-21/h2-6,11-14,17,22H,7-10,15-16H2,1H3,(H,31,35)
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n/an/a>2.40E+4n/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


(Homo sapiens)
BDBM50245235
PNG
(CHEMBL4063310 | US11116757, No. A217)
Show SMILES Fc1cc(NC(=O)N(Cc2ccccc2)C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C33H31F4N3O2/c34-27-19-26(33(35,36)37)20-28(21-27)38-32(41)40(23-24-8-3-1-4-9-24)29-14-16-39(17-15-29)22-25-10-7-13-31(18-25)42-30-11-5-2-6-12-30/h1-13,18-21,29H,14-17,22-23H2,(H,38,41)
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n/an/a>2.40E+4n/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


(Homo sapiens)
BDBM50245234
PNG
(CHEMBL4065214 | US11116757, No. A224)
Show SMILES COc1ccccc1CN1CCC(CC1)N(Cc1ccccc1)C(=O)Nc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H29F4N3O2/c1-37-26-10-6-5-9-21(26)19-34-13-11-25(12-14-34)35(18-20-7-3-2-4-8-20)27(36)33-24-16-22(28(30,31)32)15-23(29)17-24/h2-10,15-17,25H,11-14,18-19H2,1H3,(H,33,36)
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n/an/a>2.50E+4n/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


(Homo sapiens)
BDBM50245206
PNG
(CHEMBL4079682 | US11116757, No. A222)
Show SMILES Fc1cc(NC(=O)N(Cc2ccccc2)C2CCN(Cc3nc4ccccc4s3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H26F4N4OS/c29-21-14-20(28(30,31)32)15-22(16-21)33-27(37)36(17-19-6-2-1-3-7-19)23-10-12-35(13-11-23)18-26-34-24-8-4-5-9-25(24)38-26/h1-9,14-16,23H,10-13,17-18H2,(H,33,37)
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n/an/a>2.50E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


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


(Homo sapiens)
BDBM50245179
PNG
(CHEMBL4074690 | US11116757, No. A228)
Show SMILES Fc1cc(NC(=O)N(Cc2ccccc2)C2CCN(Cc3ccncc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H26F4N4O/c27-22-14-21(26(28,29)30)15-23(16-22)32-25(35)34(18-19-4-2-1-3-5-19)24-8-12-33(13-9-24)17-20-6-10-31-11-7-20/h1-7,10-11,14-16,24H,8-9,12-13,17-18H2,(H,32,35)
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n/an/a>2.80E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


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
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