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PDB code 5LN2

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 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
E3 ubiquitin-protein ligase Mdm2

  (95/95 = 100%)
(Homo sapiens (human))
BDBM143548
PNG
(US8969341, 143)
Show SMILES COc1ccccc1-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1OCCN(C)C
Show InChI InChI=1S/C32H34Cl2N4O3/c1-19(2)30-28-29(35-38(30)24-9-7-8-10-26(24)40-6)32(39)37(31(28)23-13-11-21(33)17-20(23)3)25-18-22(34)12-14-27(25)41-16-15-36(4)5/h7-14,17-19,31H,15-16H2,1-6H3/t31-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 0.101n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8969341 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SC8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2

  (95/95 = 100%)
(Homo sapiens (human))
BDBM143548
PNG
(US8969341, 143)
Show SMILES COc1ccccc1-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1OCCN(C)C
Show InChI InChI=1S/C32H34Cl2N4O3/c1-19(2)30-28-29(35-38(30)24-9-7-8-10-26(24)40-6)32(39)37(31(28)23-13-11-21(33)17-20(23)3)25-18-22(34)12-14-27(25)41-16-15-36(4)5/h7-14,17-19,31H,15-16H2,1-6H3/t31-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 0.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8969341 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SC8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2

  (95/95 = 100%)
(Homo sapiens (human))
BDBM143444
PNG
(US8969341, 92)
Show SMILES COc1ccccc1-n1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1OCCN(C)C
Show InChI InChI=1S/C32H34Cl2N4O3/c1-19(2)30-28-29(35-38(30)24-9-7-8-10-26(24)40-6)32(39)37(31(28)23-13-11-21(33)17-20(23)3)25-18-22(34)12-14-27(25)41-16-15-36(4)5/h7-14,17-19,31H,15-16H2,1-6H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 1.70n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8969341 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SC8
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