Found 2 hits Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50244269' 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 |
Vitamin D3 receptor
(Mus musculus) | BDBM50244269
((20R)-1-alpha-2-alpha-25-Trihydroxy-2-beta-methyl-...)Show SMILES CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)(O)[C@H](O)C1 |r,wU:13.12,18.20,24.26,8.8,wD:29.31,t:10,(8.85,-9.48,;7.73,-10.54,;8.1,-12.04,;9.58,-11.63,;8.46,-13.53,;9.94,-13.97,;6.59,-12.36,;5.56,-11.21,;4.06,-11.53,;3.03,-10.38,;3.58,-12.99,;4.48,-14.23,;3.58,-15.47,;2.12,-15,;.79,-15.77,;-.56,-15,;-.55,-13.45,;.79,-12.69,;2.12,-13.46,;2.11,-11.92,;.79,-17.31,;-.55,-18.08,;-.55,-19.62,;.78,-20.39,;.78,-21.93,;2.12,-22.71,;-.55,-22.7,;.54,-23.78,;-1.65,-23.78,;-1.87,-21.93,;-3.21,-22.71,;-1.87,-20.39,)| Show InChI InChI=1S/C27H44O4S/c1-6-27(31,7-2)17-32-18(3)21-12-13-22-20(9-8-14-25(21,22)4)11-10-19-15-23(28)26(5,30)24(29)16-19/h10-12,18,22-24,28-31H,6-9,13-17H2,1-5H3/b19-10-,20-11+/t18-,22+,23-,24-,25-,26?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a |
Tokyo Medical and Dental University
Curated by ChEMBL
| Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay |
Bioorg Med Chem 16: 6949-64 (2008)
Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Mus musculus) | BDBM50244269
((20R)-1-alpha-2-alpha-25-Trihydroxy-2-beta-methyl-...)Show SMILES CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)(O)[C@H](O)C1 |r,wU:13.12,18.20,24.26,8.8,wD:29.31,t:10,(8.85,-9.48,;7.73,-10.54,;8.1,-12.04,;9.58,-11.63,;8.46,-13.53,;9.94,-13.97,;6.59,-12.36,;5.56,-11.21,;4.06,-11.53,;3.03,-10.38,;3.58,-12.99,;4.48,-14.23,;3.58,-15.47,;2.12,-15,;.79,-15.77,;-.56,-15,;-.55,-13.45,;.79,-12.69,;2.12,-13.46,;2.11,-11.92,;.79,-17.31,;-.55,-18.08,;-.55,-19.62,;.78,-20.39,;.78,-21.93,;2.12,-22.71,;-.55,-22.7,;.54,-23.78,;-1.65,-23.78,;-1.87,-21.93,;-3.21,-22.71,;-1.87,-20.39,)| Show InChI InChI=1S/C27H44O4S/c1-6-27(31,7-2)17-32-18(3)21-12-13-22-20(9-8-14-25(21,22)4)11-10-19-15-23(28)26(5,30)24(29)16-19/h10-12,18,22-24,28-31H,6-9,13-17H2,1-5H3/b19-10-,20-11+/t18-,22+,23-,24-,25-,26?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a |
Tokyo Medical and Dental University
Curated by ChEMBL
| Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay |
Bioorg Med Chem 16: 6949-64 (2008)
Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW |
More data for this Ligand-Target Pair | |