Found 2 hits Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50244165' 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) | BDBM50244165
((1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybut...)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(OCCO)[C@H](O)C1 |r,wU:18.20,8.8,24.26,13.12,wD:31.33,t:10,(9.74,-21.33,;8.62,-22.39,;8.98,-23.88,;10.47,-23.47,;9.35,-25.38,;10.82,-25.82,;7.48,-24.19,;6.45,-23.04,;4.95,-23.35,;3.92,-22.2,;4.46,-24.81,;5.35,-26.06,;4.44,-27.3,;2.99,-26.81,;1.67,-27.58,;.32,-26.81,;.33,-25.27,;1.67,-24.5,;3,-25.28,;2.99,-23.74,;1.67,-29.12,;.33,-29.89,;.33,-31.43,;1.66,-32.21,;1.66,-33.75,;3,-34.52,;.33,-34.51,;.33,-36.05,;1.67,-36.82,;3,-36.05,;4.33,-36.82,;-1,-33.75,;-2.33,-34.52,;-1,-32.21,)| Show InChI InChI=1S/C28H46O5S/c1-5-28(32,6-2)18-34-19(3)22-11-12-23-21(8-7-13-27(22,23)4)10-9-20-16-24(30)26(25(31)17-20)33-15-14-29/h9-11,19,23-26,29-32H,5-8,12-18H2,1-4H3/b20-9-,21-10+/t19-,23+,24-,25-,26?,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.115 | 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) | BDBM50244165
((1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybut...)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(OCCO)[C@H](O)C1 |r,wU:18.20,8.8,24.26,13.12,wD:31.33,t:10,(9.74,-21.33,;8.62,-22.39,;8.98,-23.88,;10.47,-23.47,;9.35,-25.38,;10.82,-25.82,;7.48,-24.19,;6.45,-23.04,;4.95,-23.35,;3.92,-22.2,;4.46,-24.81,;5.35,-26.06,;4.44,-27.3,;2.99,-26.81,;1.67,-27.58,;.32,-26.81,;.33,-25.27,;1.67,-24.5,;3,-25.28,;2.99,-23.74,;1.67,-29.12,;.33,-29.89,;.33,-31.43,;1.66,-32.21,;1.66,-33.75,;3,-34.52,;.33,-34.51,;.33,-36.05,;1.67,-36.82,;3,-36.05,;4.33,-36.82,;-1,-33.75,;-2.33,-34.52,;-1,-32.21,)| Show InChI InChI=1S/C28H46O5S/c1-5-28(32,6-2)18-34-19(3)22-11-12-23-21(8-7-13-27(22,23)4)10-9-20-16-24(30)26(25(31)17-20)33-15-14-29/h9-11,19,23-26,29-32H,5-8,12-18H2,1-4H3/b20-9-,21-10+/t19-,23+,24-,25-,26?,27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0240 | 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 | |