Found 2 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50041073' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50041073
(CHEMBL3355415)Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1NC2(CCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r,wU:17.30,18.21,4.7,wD:10.10,1.0,(66.68,-24.88,;66.28,-26.36,;64.79,-26.77,;64.39,-28.26,;65.49,-29.33,;66.98,-28.94,;67.37,-27.45,;65.1,-30.82,;63.61,-31.23,;62.52,-30.14,;63.22,-32.73,;64.73,-33.04,;64.89,-34.58,;65.98,-35.67,;67.35,-34.97,;67.11,-33.45,;65.59,-33.21,;63.48,-35.2,;62.45,-34.06,;61.35,-32.96,;61.76,-31.46,;60.66,-30.36,;59.16,-30.76,;58.76,-32.28,;57.27,-32.68,;59.86,-33.37,;59.47,-34.86,;64.4,-36.46,;65.94,-36.45,;63.49,-37.72,;62.02,-37.25,;60.67,-38.02,;59.34,-37.25,;58.01,-38.02,;59.34,-35.71,;60.67,-34.94,;62.01,-35.7,)| Show InChI InChI=1S/C28H30Cl2FN3O3/c29-15-6-11-19-21(14-15)33-26(37)28(19)22(18-4-3-5-20(30)23(18)31)24(34-27(28)12-1-2-13-27)25(36)32-16-7-9-17(35)10-8-16/h3-6,11,14,16-17,22,24,34-35H,1-2,7-10,12-13H2,(H,32,36)(H,33,37)/t16-,17-,22-,24+,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ... |
J Med Chem 57: 10486-98 (2014)
Article DOI: 10.1021/jm501541j
BindingDB Entry DOI: 10.7270/Q2HH6MQK |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50041073
(CHEMBL3355415)Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1NC2(CCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r,wU:17.30,18.21,4.7,wD:10.10,1.0,(66.68,-24.88,;66.28,-26.36,;64.79,-26.77,;64.39,-28.26,;65.49,-29.33,;66.98,-28.94,;67.37,-27.45,;65.1,-30.82,;63.61,-31.23,;62.52,-30.14,;63.22,-32.73,;64.73,-33.04,;64.89,-34.58,;65.98,-35.67,;67.35,-34.97,;67.11,-33.45,;65.59,-33.21,;63.48,-35.2,;62.45,-34.06,;61.35,-32.96,;61.76,-31.46,;60.66,-30.36,;59.16,-30.76,;58.76,-32.28,;57.27,-32.68,;59.86,-33.37,;59.47,-34.86,;64.4,-36.46,;65.94,-36.45,;63.49,-37.72,;62.02,-37.25,;60.67,-38.02,;59.34,-37.25,;58.01,-38.02,;59.34,-35.71,;60.67,-34.94,;62.01,-35.7,)| Show InChI InChI=1S/C28H30Cl2FN3O3/c29-15-6-11-19-21(14-15)33-26(37)28(19)22(18-4-3-5-20(30)23(18)31)24(34-27(28)12-1-2-13-27)25(36)32-16-7-9-17(35)10-8-16/h3-6,11,14,16-17,22,24,34-35H,1-2,7-10,12-13H2,(H,32,36)(H,33,37)/t16-,17-,22-,24+,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ... |
J Med Chem 57: 10486-98 (2014)
Article DOI: 10.1021/jm501541j
BindingDB Entry DOI: 10.7270/Q2HH6MQK |
More data for this
Ligand-Target Pair | |
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