Found 2 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50506491' 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)) | BDBM50506491
(CHEMBL4521951)Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r| Show InChI InChI=1S/C77H126ClN17O24S7/c1-53(2)33-63(83-57(8)96)44-95(126(118,119)67-29-26-60(78)27-30-67)51-76(103)87-65(35-58-21-15-14-16-22-58)41-92(123(12,112)113)47-73(100)85-62(28-31-77(104)105)40-91(122(11,110)111)49-75(102)88-66(36-59-37-81-69-25-18-17-24-68(59)69)42-93(124(13,114)115)46-72(99)84-61(23-19-20-32-79)39-90(121(10,108)109)48-74(101)86-64(34-54(3)4)43-94(125(116,117)52-55(5)6)50-71(98)82-56(7)38-89(45-70(80)97)120(9,106)107/h14-18,21-22,24-27,29-30,37,53-56,61-66,81H,19-20,23,28,31-36,38-52,79H2,1-13H3,(H2,80,97)(H,82,98)(H,83,96)(H,84,99)(H,85,100)(H,86,101)(H,87,103)(H,88,102)(H,104,105)/t56-,61-,62-,63-,64-,65-,66-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co... |
J Med Chem 63: 975-986 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50506491
(CHEMBL4521951)Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)Cc1c[nH]c2ccccc12)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r| Show InChI InChI=1S/C77H126ClN17O24S7/c1-53(2)33-63(83-57(8)96)44-95(126(118,119)67-29-26-60(78)27-30-67)51-76(103)87-65(35-58-21-15-14-16-22-58)41-92(123(12,112)113)47-73(100)85-62(28-31-77(104)105)40-91(122(11,110)111)49-75(102)88-66(36-59-37-81-69-25-18-17-24-68(59)69)42-93(124(13,114)115)46-72(99)84-61(23-19-20-32-79)39-90(121(10,108)109)48-74(101)86-64(34-54(3)4)43-94(125(116,117)52-55(5)6)50-71(98)82-56(7)38-89(45-70(80)97)120(9,106)107/h14-18,21-22,24-27,29-30,37,53-56,61-66,81H,19-20,23,28,31-36,38-52,79H2,1-13H3,(H2,80,97)(H,82,98)(H,83,96)(H,84,99)(H,85,100)(H,86,101)(H,87,103)(H,88,102)(H,104,105)/t56-,61-,62-,63-,64-,65-,66-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co... |
J Med Chem 63: 975-986 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH |
More data for this
Ligand-Target Pair | |
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