Found 2 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50126112' 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)) | BDBM50126112
(CHEMBL3627750)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C73H110N16O22/c1-37(2)28-49(65(102)83-52(32-42-34-77-45-19-12-11-18-43(42)45)68(105)79-46(20-13-14-26-74)62(99)81-50(29-38(3)4)66(103)86-54(30-39(5)6)72(109)89-27-15-21-56(89)73(110)111)82-69(106)53(33-59(96)97)84-70(107)55(36-91)87-67(104)51(31-41-16-9-8-10-17-41)85-71(108)60(40(7)92)88-64(101)48(23-25-58(94)95)80-63(100)47(22-24-57(76)93)78-61(98)44(75)35-90/h8-12,16-19,34,37-40,44,46-56,60,77,90-92H,13-15,20-33,35-36,74-75H2,1-7H3,(H2,76,93)(H,78,98)(H,79,105)(H,80,100)(H,81,99)(H,82,106)(H,83,102)(H,84,107)(H,85,108)(H,86,103)(H,87,104)(H,88,101)(H,94,95)(H,96,97)(H,110,111)/t40-,44+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,60+/m1/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
| 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ... |
Bioorg Med Chem Lett 25: 4878-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7 |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50126112
(CHEMBL3627750)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C73H110N16O22/c1-37(2)28-49(65(102)83-52(32-42-34-77-45-19-12-11-18-43(42)45)68(105)79-46(20-13-14-26-74)62(99)81-50(29-38(3)4)66(103)86-54(30-39(5)6)72(109)89-27-15-21-56(89)73(110)111)82-69(106)53(33-59(96)97)84-70(107)55(36-91)87-67(104)51(31-41-16-9-8-10-17-41)85-71(108)60(40(7)92)88-64(101)48(23-25-58(94)95)80-63(100)47(22-24-57(76)93)78-61(98)44(75)35-90/h8-12,16-19,34,37-40,44,46-56,60,77,90-92H,13-15,20-33,35-36,74-75H2,1-7H3,(H2,76,93)(H,78,98)(H,79,105)(H,80,100)(H,81,99)(H,82,106)(H,83,102)(H,84,107)(H,85,108)(H,86,103)(H,87,104)(H,88,101)(H,94,95)(H,96,97)(H,110,111)/t40-,44+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,60+/m1/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 | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ... |
Bioorg Med Chem Lett 25: 4878-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7 |
More data for this Ligand-Target Pair | |