Found 2 hits Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM263429' 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
(Homo sapiens (Human)) | BDBM263429
(US9550741, III-11)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)OCc1ccccc1 |r,wU:3.2,wD:6.6,(-5.6,.24,;-5.6,1.78,;-4.26,2.55,;-2.93,1.78,;-1.6,2.55,;-.26,1.78,;-.26,.24,;1.07,-.53,;2.4,.24,;3.74,-.53,;3.74,-2.07,;5.07,-2.84,;6.41,-2.07,;6.41,-.53,;5.07,.24,;7.74,-2.84,;7.74,-4.38,;9.2,-4.86,;10.11,-3.61,;11.64,-3.45,;12.27,-2.04,;11.36,-.8,;9.83,-.96,;9.2,-2.37,;-1.6,-.53,;-2.93,.24,;-6.93,2.55,;-8.27,1.78,;-9.6,2.55,;-9.6,4.09,;-10.93,4.86,;-12.27,4.09,;-12.27,2.55,;-10.93,1.78,)| Show InChI InChI=1S/C27H34N4O2S/c32-27(33-20-22-6-2-1-3-7-22)28-23-12-10-21(11-13-23)14-15-30-16-18-31(19-17-30)26-24-8-4-5-9-25(24)34-29-26/h1-9,21,23H,10-20H2,(H,28,32)/t21-,23- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 0.0610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Pharmaceutical Industry
US Patent
| Assay Description The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi... |
US Patent US9550741 (2017)
BindingDB Entry DOI: 10.7270/Q2DN4726 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Homo sapiens (Human)) | BDBM263429
(US9550741, III-11)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)OCc1ccccc1 |r,wU:3.2,wD:6.6,(-5.6,.24,;-5.6,1.78,;-4.26,2.55,;-2.93,1.78,;-1.6,2.55,;-.26,1.78,;-.26,.24,;1.07,-.53,;2.4,.24,;3.74,-.53,;3.74,-2.07,;5.07,-2.84,;6.41,-2.07,;6.41,-.53,;5.07,.24,;7.74,-2.84,;7.74,-4.38,;9.2,-4.86,;10.11,-3.61,;11.64,-3.45,;12.27,-2.04,;11.36,-.8,;9.83,-.96,;9.2,-2.37,;-1.6,-.53,;-2.93,.24,;-6.93,2.55,;-8.27,1.78,;-9.6,2.55,;-9.6,4.09,;-10.93,4.86,;-12.27,4.09,;-12.27,2.55,;-10.93,1.78,)| Show InChI InChI=1S/C27H34N4O2S/c32-27(33-20-22-6-2-1-3-7-22)28-23-12-10-21(11-13-23)14-15-30-16-18-31(19-17-30)26-24-8-4-5-9-25(24)34-29-26/h1-9,21,23H,10-20H2,(H,28,32)/t21-,23- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 0.0610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Pharmaceutical Industry
US Patent
| Assay Description The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi... |
US Patent US9550741 (2017)
BindingDB Entry DOI: 10.7270/Q2DN4726 |
More data for this Ligand-Target Pair | |