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Compile Data Set for Download or QSAR

Found 4 hits of kd data for polymerid = 50006433   
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
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50552663
PNG
(CHEMBL4746871)
Show SMILES CCN(CC)c1cc(C)c2cc(NC(=O)\C=C\c3ccco3)ccc2n1
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n/an/an/a 2.69E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human N-terminal His6-tagged lysine dye- labeled 53BP1 TTD (1484 to1603 residues) expressed in Escherichia coli BL21 ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116054
BindingDB Entry DOI: 10.7270/Q2P55S4R
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50552663
PNG
(CHEMBL4746871)
Show SMILES CCN(CC)c1cc(C)c2cc(NC(=O)\C=C\c3ccco3)ccc2n1
PDB
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n/an/an/a 2.70E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human N-terminal His6-tagged 53BP1 TTD (1484 to1603 residues) expressed in Escherichia coli BL21 (DE3) cells by SPR a...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116054
BindingDB Entry DOI: 10.7270/Q2P55S4R
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM154545
PNG
(3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
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Article
PubMed
n/an/an/a 2.20E+4n/an/an/a8.0298.15



University of North Carolina at Chapel Hill



Assay Description
All ITC measurements were recorded at 25 °C with an AutoITC200 microcalorimeter (MicroCal Inc.). All protein and compound stock samples were in the t...


ACS Chem Biol 10: 1072-81 (2015)


Article DOI: 10.1021/cb500956g
BindingDB Entry DOI: 10.7270/Q27S7MHJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TP53-binding protein 1


(Homo sapiens (Human))
BDBM154545
PNG
(3-Bromo-N-(3-(tert-butylamino)propyl)benzamide (UN...)
Show SMILES CC(C)(C)NCCCNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
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n/an/an/a 2.20E+4n/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity to 53BP1 methyllysine binding domain (unknown origin) by ITC method


Eur J Med Chem 136: 14-35 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)