Found 2 hits Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50207091' 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)) | BDBM50207091
(CHEMBL3953773 | US9550741, IV-6)Show SMILES CN(C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccccc1 |r,wU:5.4,wD:8.8,(19.37,-25.45,;20.19,-24.17,;21.74,-24.22,;22.46,-25.6,;22.51,-22.88,;24.05,-22.88,;24.83,-21.54,;26.37,-21.54,;27.14,-22.88,;28.69,-22.88,;29.46,-21.54,;31,-21.54,;31.77,-22.88,;33.32,-22.88,;34.09,-21.54,;33.32,-20.2,;31.77,-20.2,;35.63,-21.54,;36.56,-22.83,;38,-22.31,;38,-20.77,;39.12,-19.74,;38.76,-18.25,;37.38,-17.78,;36.25,-18.82,;36.56,-20.3,;26.37,-24.22,;24.83,-24.22,;19.53,-22.78,;20.35,-21.49,;19.63,-20.1,;18.09,-20.05,;17.26,-21.34,;17.98,-22.67,)| Show InChI InChI=1S/C27H35N5OS/c1-30(23-7-3-2-4-8-23)27(33)28-22-13-11-21(12-14-22)15-16-31-17-19-32(20-18-31)26-24-9-5-6-10-25(24)34-29-26/h2-10,21-22H,11-20H2,1H3,(H,28,33)/t21-,22- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 0.130 | 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)) | BDBM50207091
(CHEMBL3953773 | US9550741, IV-6)Show SMILES CN(C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccccc1 |r,wU:5.4,wD:8.8,(19.37,-25.45,;20.19,-24.17,;21.74,-24.22,;22.46,-25.6,;22.51,-22.88,;24.05,-22.88,;24.83,-21.54,;26.37,-21.54,;27.14,-22.88,;28.69,-22.88,;29.46,-21.54,;31,-21.54,;31.77,-22.88,;33.32,-22.88,;34.09,-21.54,;33.32,-20.2,;31.77,-20.2,;35.63,-21.54,;36.56,-22.83,;38,-22.31,;38,-20.77,;39.12,-19.74,;38.76,-18.25,;37.38,-17.78,;36.25,-18.82,;36.56,-20.3,;26.37,-24.22,;24.83,-24.22,;19.53,-22.78,;20.35,-21.49,;19.63,-20.1,;18.09,-20.05,;17.26,-21.34,;17.98,-22.67,)| Show InChI InChI=1S/C27H35N5OS/c1-30(23-7-3-2-4-8-23)27(33)28-22-13-11-21(12-14-22)15-16-31-17-19-32(20-18-31)26-24-9-5-6-10-25(24)34-29-26/h2-10,21-22H,11-20H2,1H3,(H,28,33)/t21-,22- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 0.130 | 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 | |