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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Cereblon isoform 4'   
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
Cereblon isoform 4


(Magnetospirillum gryphiswaldense)
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 3.30E+3n/an/an/an/an/a



Max Planck Institute for Developmental Biology

Curated by ChEMBL


Assay Description
Binding affinity to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 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
Cereblon isoform 4


(Magnetospirillum gryphiswaldense)
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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4.30E+3n/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 wild type Magnetospirillum gryphiswaldense cereblon isoform 4 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
Cereblon isoform 4


(Magnetospirillum gryphiswaldense)
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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Article
PubMed
4.40E+3n/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 wild type Magnetospirillum gryphiswaldense cereblon isoform 4 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)
Cereblon isoform 4


(Magnetospirillum gryphiswaldense)
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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2.78E+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 wild type Magnetospirillum gryphiswaldense cereblon isoform 4 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
Cereblon isoform 4


(Magnetospirillum gryphiswaldense)
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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5.69E+6n/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 wild type Magnetospirillum gryphiswaldense cereblon isoform 4 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
Cereblon isoform 4


(Magnetospirillum gryphiswaldense)
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 4.89E+4n/an/an/an/an/an/a



Max Planck Institute for Developmental Biology

Curated by ChEMBL


Assay Description
Inhibition of MANT-uracil binding to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 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
Cereblon isoform 4


(Magnetospirillum gryphiswaldense)
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 7.60E+3n/an/an/an/an/an/a



Max Planck Institute for Developmental Biology

Curated by ChEMBL


Assay Description
Inhibition of MANT-uracil binding to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 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
Cereblon isoform 4


(Magnetospirillum gryphiswaldense)
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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PubMed
n/an/a 7.80E+3n/an/an/an/an/an/a



Max Planck Institute for Developmental Biology

Curated by ChEMBL


Assay Description
Inhibition of MANT-uracil binding to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 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)
Cereblon isoform 4


(Magnetospirillum gryphiswaldense)
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 1.00E+7n/an/an/an/an/an/a



Max Planck Institute for Developmental Biology

Curated by ChEMBL


Assay Description
Inhibition of MANT-uracil binding to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 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