BindingDB PrimarySearch

BDBM50292629 (23S)-25-dehydro-2-methylene-19-nor-1alpha-hydroxyvitaminD3-26,23-lactone::(S)-5-((R)-2-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-dihydroxy-4-methylenecyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)propyl)-3-methylene-dihydrofuran-2(3H)-one::CHEMBL263638

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-GHLZQXTLSA-N

Data: 1 KI 1 IC50 4 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50292629
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Vitamin D receptor (Rattus norvegicus)	BDBM50292629 ((23S)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	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
University of Wisconsin-Madison Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50292629 ((23S)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) Show SMILES Show InChI	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 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
Tokyo Medical and Dental University Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D receptor (Rattus norvegicus)	BDBM50292629 ((23S)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) Show SMILES Show InChI	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	0.700	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
Tokyo Medical and Dental University Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50292629 ((23S)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) Show SMILES Show InChI	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	25	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
Tokyo Medical and Dental University Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D receptor (Rattus norvegicus)	BDBM50292629 ((23S)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) Show SMILES Show InChI	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	2	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
University of Wisconsin-Madison Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50292629 ((23S)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) Show SMILES Show InChI	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	1	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
Tokyo Medical and Dental University Curated by ChEMBL					More data for this Ligand-Target Pair