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PDB code 4CI3

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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
CRBN-DDB1

  (1140/1140 = 100%)
(Homo sapiens (Human))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.20E+3n/an/an/an/a7.0n/a



Celgene Corporation



Assay Description
The 6XHis-tagged full length human CRBN bound to full length human DDB1 used in the assay was purified as described elsewhere with the exception that...


J Med Chem 61: 535-542 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01921
BindingDB Entry DOI: 10.7270/Q2PC30HG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CRBN-DDB1

  (1140/1140 = 100%)
(Homo sapiens (Human))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 3.00E+3n/an/an/an/a8.070



Celgene



Assay Description
Thermal stabilities of CRBN-DDB1 in the presence or absence of phthalimide, thalidomide, lenalidomide and pomalidomide were done in the presence of S...


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)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output