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BDBM50339363 (+/-)-trans-3-(4-Chlorophenyl)-3-(4-hydroxymethylcyclohexylmethoxy)-2-(4-nitrobenzyl)-2,3-dihydroisoindol-1-one::CHEMBL1688268

SMILES: OC[C@H]1CC[C@H](COC2(N(Cc3ccc(cc3)[N+]([O-])=O)C(=O)c3ccccc23)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=KLCITVQDFSSVKO-FKCXMHPPSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50339363   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50339363
PNG
((+/-)-trans-3-(4-Chlorophenyl)-3-(4-hydroxymethylc...)
Show SMILES OC[C@H]1CC[C@H](COC2(N(Cc3ccc(cc3)[N+]([O-])=O)C(=O)c3ccccc23)c2ccc(Cl)cc2)CC1 |r,wU:5.5,wD:2.1,(-7.05,-6.08,;-8.14,-7.17,;-7.74,-8.66,;-8.83,-9.76,;-8.42,-11.24,;-6.94,-11.63,;-6.54,-13.11,;-5.05,-13.51,;-4.65,-15,;-3.74,-16.26,;-2.2,-16.26,;-1.43,-17.59,;-2.2,-18.92,;-1.43,-20.25,;.11,-20.25,;.88,-18.91,;.11,-17.58,;.89,-21.59,;.12,-22.93,;2.43,-21.59,;-4.65,-17.51,;-4.17,-18.98,;-6.12,-17.03,;-7.45,-17.8,;-8.79,-17.03,;-8.78,-15.49,;-7.46,-14.72,;-6.12,-15.48,;-3.33,-14.21,;-1.98,-14.96,;-.66,-14.17,;-.69,-12.63,;.63,-11.84,;-2.04,-11.88,;-3.36,-12.68,;-5.85,-10.54,;-6.25,-9.06,)|
Show InChI InChI=1S/C29H29ClN2O5/c30-24-13-11-23(12-14-24)29(37-19-22-7-5-21(18-33)6-8-22)27-4-2-1-3-26(27)28(34)31(29)17-20-9-15-25(16-10-20)32(35)36/h1-4,9-16,21-22,33H,5-8,17-19H2/t21-,22-,29?
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Mdm2 -p53 protein interaction by ELISA


J Med Chem 54: 1233-43 (2011)


Article DOI: 10.1021/jm1011929
BindingDB Entry DOI: 10.7270/Q29K4BHN
More data for this
Ligand-Target Pair