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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cereblon isoform 4' and Ligand = 'BDBM50070114'   
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)
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)
PDB

UniProtKB/TrEMBL

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CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
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PDB
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)
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)
PDB

UniProtKB/TrEMBL

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CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
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 CRBN isoform 4 by FRET assay


J Med Chem 62: 6615-6629 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00454
BindingDB Entry DOI: 10.7270/Q2JH3QK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
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CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
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)