Found 2 hits Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM263395' 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)) | BDBM263395
(US9550741, II-5)Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1 |r,wU:4.3,wD:7.7,(-5.89,-.2,;-5.89,1.34,;-5.89,2.88,;-4.56,2.11,;-3.22,1.34,;-1.89,2.11,;-.56,1.34,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-1.89,-.97,;-3.22,-.2,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)| Show InChI InChI=1S/C27H32N4O3S2/c32-36(33,26-19-21-5-1-3-7-24(21)34-26)29-22-11-9-20(10-12-22)13-14-30-15-17-31(18-16-30)27-23-6-2-4-8-25(23)35-28-27/h1-8,19-20,22,29H,9-18H2/t20-,22- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 0.0850 | 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)) | BDBM263395
(US9550741, II-5)Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1 |r,wU:4.3,wD:7.7,(-5.89,-.2,;-5.89,1.34,;-5.89,2.88,;-4.56,2.11,;-3.22,1.34,;-1.89,2.11,;-.56,1.34,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-1.89,-.97,;-3.22,-.2,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)| Show InChI InChI=1S/C27H32N4O3S2/c32-36(33,26-19-21-5-1-3-7-24(21)34-26)29-22-11-9-20(10-12-22)13-14-30-15-17-31(18-16-30)27-23-6-2-4-8-25(23)35-28-27/h1-8,19-20,22,29H,9-18H2/t20-,22- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 0.0850 | 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 | |