Found 2 hits Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50244241' 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) | BDBM50244241
((20R)-(2E)-1-alpha-25-Dihydroxy-2-[2-(hydroxy)-eth...)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(=CCO)[C@H](O)C1 |r,wU:13.12,30.32,18.20,8.8,wD:24.26,t:10,(11.14,6.94,;10.03,5.88,;10.38,4.38,;11.86,4.79,;10.74,2.89,;12.22,2.45,;8.87,4.07,;7.85,5.22,;6.34,4.91,;5.31,6.05,;5.86,3.44,;6.75,2.2,;5.85,.96,;4.39,1.44,;3.06,.67,;1.72,1.44,;1.73,2.98,;3.07,3.75,;4.4,2.97,;4.39,4.52,;3.06,-.87,;1.73,-1.64,;1.73,-3.18,;.4,-3.96,;.4,-5.5,;-.94,-6.27,;1.73,-6.26,;1.73,-7.8,;.39,-8.57,;-.94,-7.8,;3.05,-5.5,;4.39,-6.27,;3.05,-3.96,)| Show InChI InChI=1S/C28H44O4S/c1-5-28(32,6-2)18-33-19(3)23-11-12-24-21(8-7-14-27(23,24)4)10-9-20-16-25(30)22(13-15-29)26(31)17-20/h9-11,13,19,24-26,29-32H,5-8,12,14-18H2,1-4H3/b20-9-,21-10+,22-13+/t19-,24+,25-,26-,27-/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 | 0.0290 | 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) | BDBM50244241
((20R)-(2E)-1-alpha-25-Dihydroxy-2-[2-(hydroxy)-eth...)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(=CCO)[C@H](O)C1 |r,wU:13.12,30.32,18.20,8.8,wD:24.26,t:10,(11.14,6.94,;10.03,5.88,;10.38,4.38,;11.86,4.79,;10.74,2.89,;12.22,2.45,;8.87,4.07,;7.85,5.22,;6.34,4.91,;5.31,6.05,;5.86,3.44,;6.75,2.2,;5.85,.96,;4.39,1.44,;3.06,.67,;1.72,1.44,;1.73,2.98,;3.07,3.75,;4.4,2.97,;4.39,4.52,;3.06,-.87,;1.73,-1.64,;1.73,-3.18,;.4,-3.96,;.4,-5.5,;-.94,-6.27,;1.73,-6.26,;1.73,-7.8,;.39,-8.57,;-.94,-7.8,;3.05,-5.5,;4.39,-6.27,;3.05,-3.96,)| Show InChI InChI=1S/C28H44O4S/c1-5-28(32,6-2)18-33-19(3)23-11-12-24-21(8-7-14-27(23,24)4)10-9-20-16-25(30)22(13-15-29)26(31)17-20/h9-11,13,19,24-26,29-32H,5-8,12,14-18H2,1-4H3/b20-9-,21-10+,22-13+/t19-,24+,25-,26-,27-/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 | 0.200 | 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 | |