Found 2 hits Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50412386' 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) | BDBM50412386
(CHEMBL2021486)Show SMILES CCCOC1[C@H](O)CC(C[C@H]1O)=C\C=C1/CCC[C@@]2(C)C1CC=C2C(C)SCCC(O)(CC)CC |r,wU:18.19,10.11,wD:5.5,4.3,c:24,@@:4,(-19.88,-.17,;-21.22,.6,;-22.55,-.17,;-23.88,.6,;-23.88,2.14,;-25.22,2.91,;-26.55,2.14,;-25.22,4.45,;-23.88,5.22,;-22.55,4.45,;-22.55,2.91,;-21.22,2.14,;-23.88,6.76,;-22.55,7.53,;-22.55,9.07,;-23.88,9.84,;-23.88,11.38,;-22.55,12.15,;-21.22,11.38,;-21.22,12.92,;-21.22,9.84,;-19.75,9.37,;-18.85,10.61,;-19.75,11.86,;-19.28,13.33,;-20.31,14.47,;-17.77,13.65,;-16.68,12.56,;-15.19,12.96,;-14.1,11.87,;-13.01,10.78,;-14.5,10.38,;-13.41,9.29,;-12.62,12.26,;-11.53,11.18,)| Show InChI InChI=1S/C30H50O4S/c1-6-17-34-28-26(31)19-22(20-27(28)32)11-12-23-10-9-15-29(5)24(13-14-25(23)29)21(4)35-18-16-30(33,7-2)8-3/h11-13,21,25-28,31-33H,6-10,14-20H2,1-5H3/b22-11-,23-12+/t21?,25?,26-,27-,28?,29-/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 | 0.0300 | 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) | BDBM50412386
(CHEMBL2021486)Show SMILES CCCOC1[C@H](O)CC(C[C@H]1O)=C\C=C1/CCC[C@@]2(C)C1CC=C2C(C)SCCC(O)(CC)CC |r,wU:18.19,10.11,wD:5.5,4.3,c:24,@@:4,(-19.88,-.17,;-21.22,.6,;-22.55,-.17,;-23.88,.6,;-23.88,2.14,;-25.22,2.91,;-26.55,2.14,;-25.22,4.45,;-23.88,5.22,;-22.55,4.45,;-22.55,2.91,;-21.22,2.14,;-23.88,6.76,;-22.55,7.53,;-22.55,9.07,;-23.88,9.84,;-23.88,11.38,;-22.55,12.15,;-21.22,11.38,;-21.22,12.92,;-21.22,9.84,;-19.75,9.37,;-18.85,10.61,;-19.75,11.86,;-19.28,13.33,;-20.31,14.47,;-17.77,13.65,;-16.68,12.56,;-15.19,12.96,;-14.1,11.87,;-13.01,10.78,;-14.5,10.38,;-13.41,9.29,;-12.62,12.26,;-11.53,11.18,)| Show InChI InChI=1S/C30H50O4S/c1-6-17-34-28-26(31)19-22(20-27(28)32)11-12-23-10-9-15-29(5)24(13-14-25(23)29)21(4)35-18-16-30(33,7-2)8-3/h11-13,21,25-28,31-33H,6-10,14-20H2,1-5H3/b22-11-,23-12+/t21?,25?,26-,27-,28?,29-/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 | 0.0580 | 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 | |