BDBM50292630 (23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxyvitaminD3-26,23-lactone::(5R)-5-{(2R)-2-[(1R,3R,7E)-1,3-Dihydroxy-2-methylene-9,10-secoestra-5,7-dien-17-yl]propyl}-3-methylenedihydro-2(3H)-furanone::CHEMBL261197
SMILES: [#6]-[#6@H](-[#6]-[#6@@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1
InChI Key: InChIKey=NFEAURPDDCSCJD-AZRXGHRDSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Vitamin D receptor (Rattus norvegicus) | BDBM50292630 ((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison Curated by ChEMBL | Assay Description Displacement of [3H]1alpha,25-(OH)2D3 from rat recombinant full length VDR | Bioorg Med Chem 16: 8563-73 (2008) Article DOI: 10.1016/j.bmc.2008.08.011 BindingDB Entry DOI: 10.7270/Q20001X4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin D3 receptor (Homo sapiens (Human)) | BDBM50292630 ((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Tokyo Medical and Dental University Curated by ChEMBL | Assay Description Agonist activity at human VDR in HEK293 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferase r... | Bioorg Med Chem 16: 457-73 (2008) Article DOI: 10.1016/j.bmc.2007.09.017 BindingDB Entry DOI: 10.7270/Q2VD70BN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin D3 receptor (Homo sapiens (Human)) | BDBM50292630 ((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo Medical and Dental University Curated by ChEMBL | Assay Description Antagonist activity at human VDR in HEK293 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferas... | Bioorg Med Chem 16: 457-73 (2008) Article DOI: 10.1016/j.bmc.2007.09.017 BindingDB Entry DOI: 10.7270/Q2VD70BN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin D3 receptor (Homo sapiens (Human)) | BDBM50292630 ((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a |
Tokyo Medical and Dental University Curated by ChEMBL | Assay Description Agonist activity at human VDR in COS7 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferase rep... | Bioorg Med Chem 16: 457-73 (2008) Article DOI: 10.1016/j.bmc.2007.09.017 BindingDB Entry DOI: 10.7270/Q2VD70BN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin D3 receptor (Homo sapiens (Human)) | BDBM50292630 ((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo Medical and Dental University Curated by ChEMBL | Assay Description Antagonist activity at human VDR in COS7 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferase ... | Bioorg Med Chem 16: 457-73 (2008) Article DOI: 10.1016/j.bmc.2007.09.017 BindingDB Entry DOI: 10.7270/Q2VD70BN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin D receptor (Rattus norvegicus) | BDBM50292630 ((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison Curated by ChEMBL | Assay Description Activity at rat recombinant full length VDR expressed in rat ROS 17/2.8 cells transfected with 24-hydroxylase gene promoter assessed as transcription... | Bioorg Med Chem 16: 8563-73 (2008) Article DOI: 10.1016/j.bmc.2008.08.011 BindingDB Entry DOI: 10.7270/Q20001X4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin D receptor (Rattus norvegicus) | BDBM50292630 ((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Tokyo Medical and Dental University Curated by ChEMBL | Assay Description Displacement of [3H]1,25-(OH)2D3 from rat recombinant His-tagged VDR ligand-binding domain expressed in Escherichia coli BL21 | Bioorg Med Chem 16: 457-73 (2008) Article DOI: 10.1016/j.bmc.2007.09.017 BindingDB Entry DOI: 10.7270/Q2VD70BN | |||||||||||
More data for this Ligand-Target Pair |