Found 2 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2 [17-125]' and Ligand = 'BDBM227651' 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 [17-125]
(Homo sapiens (Human)) | BDBM227651
(6-(5-chloropyridin-3-yl)- 8-[1-fluoro-1-(2- fluoro...)Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)C(O)=O)C(C)(F)c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,(6.57,-3.25,;5.09,-2.85,;4.69,-1.36,;3.2,-.96,;2.11,-2.05,;.62,-1.65,;.23,-.17,;1.13,1.08,;.23,2.33,;-1.24,1.85,;-2.57,2.62,;-3.91,1.85,;-3.91,.31,;-2.57,-.46,;-2.57,-2,;-1.24,-2.77,;-1.24,-4.31,;-2.57,-5.08,;-3.91,-4.31,;-5.24,-5.08,;-3.91,-2.77,;-1.24,.31,;-5.24,2.62,;-6.57,1.85,;-5.24,4.16,;2.8,1.08,;3.57,-.25,;4.34,1.08,;3.57,2.41,;5.11,2.41,;5.88,3.75,;5.11,5.08,;3.57,5.08,;2.8,3.75,;1.26,3.75,;2.51,-3.54,;4,-3.94,)| Show InChI InChI=1S/C27H26ClF2N5O2/c1-15-7-9-16(10-8-15)14-35-22-21(17-11-18(28)13-31-12-17)32-24(25(36)37)33-23(22)34-26(35)27(2,30)19-5-3-4-6-20(19)29/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,36,37)/t15-,16-,27? | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 0.176 | n/a | n/a | n/a | n/a | n/a | 25 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re... |
US Patent US9540377 (2017)
BindingDB Entry DOI: 10.7270/Q2RF5X1F |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2 [17-125]
(Homo sapiens (Human)) | BDBM227651
(6-(5-chloropyridin-3-yl)- 8-[1-fluoro-1-(2- fluoro...)Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)C(O)=O)C(C)(F)c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,(6.57,-3.25,;5.09,-2.85,;4.69,-1.36,;3.2,-.96,;2.11,-2.05,;.62,-1.65,;.23,-.17,;1.13,1.08,;.23,2.33,;-1.24,1.85,;-2.57,2.62,;-3.91,1.85,;-3.91,.31,;-2.57,-.46,;-2.57,-2,;-1.24,-2.77,;-1.24,-4.31,;-2.57,-5.08,;-3.91,-4.31,;-5.24,-5.08,;-3.91,-2.77,;-1.24,.31,;-5.24,2.62,;-6.57,1.85,;-5.24,4.16,;2.8,1.08,;3.57,-.25,;4.34,1.08,;3.57,2.41,;5.11,2.41,;5.88,3.75,;5.11,5.08,;3.57,5.08,;2.8,3.75,;1.26,3.75,;2.51,-3.54,;4,-3.94,)| Show InChI InChI=1S/C27H26ClF2N5O2/c1-15-7-9-16(10-8-15)14-35-22-21(17-11-18(28)13-31-12-17)32-24(25(36)37)33-23(22)34-26(35)27(2,30)19-5-3-4-6-20(19)29/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,36,37)/t15-,16-,27? | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5.82 | n/a | n/a | n/a | n/a | n/a | 25 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re... |
US Patent US9540377 (2017)
BindingDB Entry DOI: 10.7270/Q2RF5X1F |
More data for this Ligand-Target Pair | |