Found 2 hits for monomerid = 50237759 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
MDM2-MDMX
(Homo sapiens (Human)) | BDBM50237759
(CHEMBL4064410)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r,wU:20.33,21.24,6.9,wD:12.12,3.2,(33.7,-7.1,;33.4,-5.59,;34.56,-4.57,;31.94,-5.09,;31.64,-3.58,;30.18,-3.08,;29.04,-4.09,;29.33,-5.61,;30.78,-6.1,;27.58,-3.6,;26.42,-4.62,;24.99,-4.05,;26.8,-6.11,;28.24,-6.65,;28.17,-8.19,;28.56,-9.67,;30.04,-10.07,;31.13,-8.99,;30.73,-7.5,;29.25,-7.1,;26.68,-8.6,;25.75,-7.34,;24.41,-5.82,;24.11,-4.3,;22.65,-3.8,;21.49,-4.81,;21.79,-6.33,;20.62,-7.34,;23.24,-6.83,;24.93,-7.81,;27.6,-9.85,;29,-11.01,;26.69,-11.11,;25.22,-10.64,;23.87,-11.41,;22.54,-10.64,;21.21,-11.41,;22.54,-9.1,;23.87,-8.33,;25.21,-9.09,)| Show InChI InChI=1S/C30H32Cl2FN3O4/c31-17-9-12-20-22(15-17)35-28(40)30(20)23(19-5-4-6-21(32)24(19)33)25(36-29(30)13-2-1-3-14-29)26(37)34-18-10-7-16(8-11-18)27(38)39/h4-6,9,12,15-16,18,23,25,36H,1-3,7-8,10-11,13-14H2,(H,34,37)(H,35,40)(H,38,39)/t16-,18-,23-,25+,30+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Comprehensive Cancer Center
Curated by ChEMBL
| Assay Description Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor |
J Med Chem 60: 2819-2839 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF |
More data for this Ligand-Target Pair | |
MDM2-MDMX
(Homo sapiens (Human)) | BDBM50237759
(CHEMBL4064410)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r,wU:20.33,21.24,6.9,wD:12.12,3.2,(33.7,-7.1,;33.4,-5.59,;34.56,-4.57,;31.94,-5.09,;31.64,-3.58,;30.18,-3.08,;29.04,-4.09,;29.33,-5.61,;30.78,-6.1,;27.58,-3.6,;26.42,-4.62,;24.99,-4.05,;26.8,-6.11,;28.24,-6.65,;28.17,-8.19,;28.56,-9.67,;30.04,-10.07,;31.13,-8.99,;30.73,-7.5,;29.25,-7.1,;26.68,-8.6,;25.75,-7.34,;24.41,-5.82,;24.11,-4.3,;22.65,-3.8,;21.49,-4.81,;21.79,-6.33,;20.62,-7.34,;23.24,-6.83,;24.93,-7.81,;27.6,-9.85,;29,-11.01,;26.69,-11.11,;25.22,-10.64,;23.87,-11.41,;22.54,-10.64,;21.21,-11.41,;22.54,-9.1,;23.87,-8.33,;25.21,-9.09,)| Show InChI InChI=1S/C30H32Cl2FN3O4/c31-17-9-12-20-22(15-17)35-28(40)30(20)23(19-5-4-6-21(32)24(19)33)25(36-29(30)13-2-1-3-14-29)26(37)34-18-10-7-16(8-11-18)27(38)39/h4-6,9,12,15-16,18,23,25,36H,1-3,7-8,10-11,13-14H2,(H,34,37)(H,35,40)(H,38,39)/t16-,18-,23-,25+,30+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Comprehensive Cancer Center
Curated by ChEMBL
| Assay Description Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol... |
J Med Chem 60: 2819-2839 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF |
More data for this Ligand-Target Pair | |