Found 2 hits for monomerid = 50436681 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)) | BDBM50436681
(CHEMBL2398479)Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@@H](C1)NS(C)(=O)=O |r,wU:17.19,8.8,31.34,5.4,wD:7.31,33.39,(12.69,-41.86,;11.49,-40.9,;11.72,-39.38,;12.96,-40.5,;10.05,-41.46,;8.85,-40.49,;8.93,-38.96,;7.48,-38.41,;6.52,-39.61,;5.18,-38.84,;3.85,-39.62,;2.51,-38.85,;2.5,-37.3,;3.84,-36.52,;3.84,-34.98,;5.18,-37.29,;5.17,-35.74,;7.37,-40.9,;8.28,-42.16,;9.82,-42.16,;7.36,-43.41,;5.89,-42.93,;4.56,-43.71,;3.22,-42.93,;1.89,-43.7,;3.22,-41.39,;4.55,-40.62,;5.89,-41.38,;7.49,-36.87,;6.16,-36.1,;8.83,-36.11,;10.16,-36.88,;11.64,-36.5,;12.03,-37.98,;10.54,-38.38,;13.36,-38.76,;14.7,-37.99,;14.71,-36.45,;16.24,-37.99,;15.47,-39.33,)| Show InChI InChI=1S/C28H33Cl2FN4O4S/c1-27(2,3)13-21-28(18-9-8-14(29)10-20(18)33-26(28)37)22(17-6-5-7-19(30)23(17)31)24(34-21)25(36)32-15-11-16(12-15)35-40(4,38)39/h5-10,15-16,21-22,24,34-35H,11-13H2,1-4H3,(H,32,36)(H,33,37)/t15-,16-,21-,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
| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay |
J Med Chem 56: 5553-61 (2014)
Article DOI: 10.1021/jm4005708 BindingDB Entry DOI: 10.7270/Q2SJ1N2D |
More data for this Ligand-Target Pair | |
MDM2-MDMX
(Homo sapiens (Human)) | BDBM50436681
(CHEMBL2398479)Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@@H](C1)NS(C)(=O)=O |r,wU:17.19,8.8,31.34,5.4,wD:7.31,33.39,(12.69,-41.86,;11.49,-40.9,;11.72,-39.38,;12.96,-40.5,;10.05,-41.46,;8.85,-40.49,;8.93,-38.96,;7.48,-38.41,;6.52,-39.61,;5.18,-38.84,;3.85,-39.62,;2.51,-38.85,;2.5,-37.3,;3.84,-36.52,;3.84,-34.98,;5.18,-37.29,;5.17,-35.74,;7.37,-40.9,;8.28,-42.16,;9.82,-42.16,;7.36,-43.41,;5.89,-42.93,;4.56,-43.71,;3.22,-42.93,;1.89,-43.7,;3.22,-41.39,;4.55,-40.62,;5.89,-41.38,;7.49,-36.87,;6.16,-36.1,;8.83,-36.11,;10.16,-36.88,;11.64,-36.5,;12.03,-37.98,;10.54,-38.38,;13.36,-38.76,;14.7,-37.99,;14.71,-36.45,;16.24,-37.99,;15.47,-39.33,)| Show InChI InChI=1S/C28H33Cl2FN4O4S/c1-27(2,3)13-21-28(18-9-8-14(29)10-20(18)33-26(28)37)22(17-6-5-7-19(30)23(17)31)24(34-21)25(36)32-15-11-16(12-15)35-40(4,38)39/h5-10,15-16,21-22,24,34-35H,11-13H2,1-4H3,(H,32,36)(H,33,37)/t15-,16-,21-,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 | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 to 30 mins by fluorescence pol... |
J Med Chem 56: 5553-61 (2014)
Article DOI: 10.1021/jm4005708 BindingDB Entry DOI: 10.7270/Q2SJ1N2D |
More data for this Ligand-Target Pair | |