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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Protein cereblon'   
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
Protein cereblon


(Homo sapiens)
BDBM50146598
PNG
(CHEMBL3764647)
Show SMILES CNc1ccccc1C(=O)NCCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N4O3/c1-15-11-5-3-2-4-10(11)13(20)16-7-9-18-8-6-12(19)17-14(18)21/h2-6,8,15H,7,9H2,1H3,(H,16,20)(H,17,19,21)
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n/an/an/a 7.90E+3n/an/an/an/an/a



Max Planck Institute for Developmental Biology

Curated by ChEMBL


Assay Description
Binding affinity to human CRBN (delta 1 to 315) by FRET assay


J Med Chem 59: 770-4 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01735
BindingDB Entry DOI: 10.7270/Q2PR7XVF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens)
BDBM50070114
PNG
((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...)
Show SMILES O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
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2.27E+4n/an/an/an/an/an/an/an/a



Max Planck Institute for Developmental Biology

Curated by ChEMBL


Assay Description
Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by Cheng-Prusoff equation analysis


J Med Chem 59: 770-4 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01735
BindingDB Entry DOI: 10.7270/Q2PR7XVF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein cereblon


(Homo sapiens)
BDBM7814
PNG
(Maleimide-Related Compound 13 | pyrrolidine-2,5-di...)
Show SMILES O=C1CCC(=O)N1
Show InChI InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)
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2.62E+4n/an/an/an/an/an/an/an/a



Max Planck Institute for Developmental Biology

Curated by ChEMBL


Assay Description
Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by Cheng-Prusoff equation analysis


J Med Chem 59: 770-4 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01735
BindingDB Entry DOI: 10.7270/Q2PR7XVF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens)
BDBM50146597
PNG
(CHEMBL3763941)
Show SMILES O=C1CCCC(=O)N1
Show InChI InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)
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1.03E+5n/an/an/an/an/an/an/an/a



Max Planck Institute for Developmental Biology

Curated by ChEMBL


Assay Description
Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by Cheng-Prusoff equation analysis


J Med Chem 59: 770-4 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01735
BindingDB Entry DOI: 10.7270/Q2PR7XVF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens)
BDBM50026473
PNG
(CHEMBL25028 | Sulfonylbismethane | dimethyl sulfon...)
Show SMILES CS(C)(=O)=O
Show InChI InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
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1.37E+8n/an/an/an/an/an/an/an/a



Max Planck Institute for Developmental Biology

Curated by ChEMBL


Assay Description
Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by Cheng-Prusoff equation analysis


J Med Chem 59: 770-4 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01735
BindingDB Entry DOI: 10.7270/Q2PR7XVF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens)
BDBM7814
PNG
(Maleimide-Related Compound 13 | pyrrolidine-2,5-di...)
Show SMILES O=C1CCC(=O)N1
Show InChI InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)
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n/an/a 3.45E+4n/an/an/an/an/an/a



Max Planck Institute for Developmental Biology

Curated by ChEMBL


Assay Description
Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by FRET assay


J Med Chem 59: 770-4 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01735
BindingDB Entry DOI: 10.7270/Q2PR7XVF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens)
BDBM50070114
PNG
((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...)
Show SMILES O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
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n/an/a 2.99E+4n/an/an/an/an/an/a



Max Planck Institute for Developmental Biology

Curated by ChEMBL


Assay Description
Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by FRET assay


J Med Chem 59: 770-4 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01735
BindingDB Entry DOI: 10.7270/Q2PR7XVF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein cereblon


(Homo sapiens)
BDBM50026473
PNG
(CHEMBL25028 | Sulfonylbismethane | dimethyl sulfon...)
Show SMILES CS(C)(=O)=O
Show InChI InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
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n/an/a 1.81E+8n/an/an/an/an/an/a



Max Planck Institute for Developmental Biology

Curated by ChEMBL


Assay Description
Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by FRET assay


J Med Chem 59: 770-4 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01735
BindingDB Entry DOI: 10.7270/Q2PR7XVF
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens)
BDBM65362
PNG
((+)-Thalidomide | (R)-(+)-thalidomide | (R)-Thalid...)
Show SMILES O=C1N([C@@H]2CCC(=O)NC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Celgene



Assay Description
To measure compound binding to endogenous CRBN.


Leukemia 26: 2326-35 (2012)


Article DOI: 10.1038/leu.2012.119
BindingDB Entry DOI: 10.7270/Q26971RH
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens)
BDBM65457
PNG
((-)-Thalidomide | (S)-Thalidomide)
Show SMILES O=C1N([C@H]2CCC(=O)NC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Celgene



Assay Description
To measure compound binding to endogenous CRBN.


Leukemia 26: 2326-35 (2012)


Article DOI: 10.1038/leu.2012.119
BindingDB Entry DOI: 10.7270/Q26971RH
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens)
BDBM65456
PNG
(19171-19-8 | 4-amino-2-(2,6-dioxopiperidin-3-yl)is...)
Show SMILES Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Show InChI InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Celgene



Assay Description
To measure compound binding to endogenous CRBN.


Leukemia 26: 2326-35 (2012)


Article DOI: 10.1038/leu.2012.119
BindingDB Entry DOI: 10.7270/Q26971RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein cereblon


(Homo sapiens)
BDBM65454
PNG
(191732-72-6 | CC-5013 | Lenalidomide | Revimid | R...)
Show SMILES Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O
Show InChI InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Celgene



Assay Description
To measure compound binding to endogenous CRBN.


Leukemia 26: 2326-35 (2012)


Article DOI: 10.1038/leu.2012.119
BindingDB Entry DOI: 10.7270/Q26971RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein cereblon


(Homo sapiens)
BDBM50146597
PNG
(CHEMBL3763941)
Show SMILES O=C1CCCC(=O)N1
Show InChI InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)
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n/an/a 1.36E+5n/an/an/an/an/an/a



Max Planck Institute for Developmental Biology

Curated by ChEMBL


Assay Description
Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by FRET assay


J Med Chem 59: 770-4 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01735
BindingDB Entry DOI: 10.7270/Q2PR7XVF
More data for this
Ligand-Target Pair