Found 2 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-alpha' and Ligand = 'BDBM304622' 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 |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM304622
((S)-1-(((1s,4R)-4-(difluoromethyl)cyclohexyl)methy...)Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN([C@H](C1)c1ccccc1)C(=O)C1CC[C@@H](CC1)C(F)F |r,wD:14.17,27.33,(2.97,10.89,;3.74,9.56,;5.07,10.33,;5.07,8.79,;2.97,8.22,;3.74,6.89,;2.97,5.56,;1.43,5.56,;.66,6.89,;1.43,8.22,;-.88,6.89,;-1.65,8.22,;-3.19,8.22,;-3.96,6.89,;-3.19,5.56,;-1.65,5.56,;-3.96,4.22,;-5.5,4.22,;-6.27,2.89,;-5.5,1.55,;-3.96,1.55,;-3.19,2.89,;-5.5,6.89,;-6.27,5.56,;-6.27,8.22,;-7.81,8.22,;-8.58,9.56,;-7.81,10.89,;-6.27,10.89,;-5.5,9.56,;-8.58,12.22,;-10.12,12.22,;-7.81,13.56,)| Show InChI InChI=1S/C25H30F2N2O3S/c1-33(31,32)22-9-5-8-21(16-22)28-14-15-29(23(17-28)18-6-3-2-4-7-18)25(30)20-12-10-19(11-13-20)24(26)27/h2-9,16,19-20,23-24H,10-15,17H2,1H3/t19-,20?,23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan... |
US Patent US10144715 (2018)
BindingDB Entry DOI: 10.7270/Q2PV6NFD |
More data for this Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM304622
((S)-1-(((1s,4R)-4-(difluoromethyl)cyclohexyl)methy...)Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN([C@H](C1)c1ccccc1)C(=O)C1CC[C@@H](CC1)C(F)F |r,wD:14.17,27.33,(2.97,10.89,;3.74,9.56,;5.07,10.33,;5.07,8.79,;2.97,8.22,;3.74,6.89,;2.97,5.56,;1.43,5.56,;.66,6.89,;1.43,8.22,;-.88,6.89,;-1.65,8.22,;-3.19,8.22,;-3.96,6.89,;-3.19,5.56,;-1.65,5.56,;-3.96,4.22,;-5.5,4.22,;-6.27,2.89,;-5.5,1.55,;-3.96,1.55,;-3.19,2.89,;-5.5,6.89,;-6.27,5.56,;-6.27,8.22,;-7.81,8.22,;-8.58,9.56,;-7.81,10.89,;-6.27,10.89,;-5.5,9.56,;-8.58,12.22,;-10.12,12.22,;-7.81,13.56,)| Show InChI InChI=1S/C25H30F2N2O3S/c1-33(31,32)22-9-5-8-21(16-22)28-14-15-29(23(17-28)18-6-3-2-4-7-18)25(30)20-12-10-19(11-13-20)24(26)27/h2-9,16,19-20,23-24H,10-15,17H2,1H3/t19-,20?,23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 287 | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description This assay is based on the ability of the LXR-LBDs (LXRα and LXRβ) to recruit and interact with a co-activator peptide. This assay was run ... |
US Patent US10144715 (2018)
BindingDB Entry DOI: 10.7270/Q2PV6NFD |
More data for this Ligand-Target Pair | |