BindingDB PrimarySearch

BDBM50200182 (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol::(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol::(1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol::(5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol::1,25-DHCC::1alpha,25(OH)2D3::1alpha,25-dihydroxycholecalciferol::1alpha,25-dihydroxyvitamin D3::CALCITRIOL::CHEMBL846

SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

InChI Key: InChIKey=GMRQFYUYWCNGIN-NKMMMXOESA-N

Data: 12 KI 24 IC50 4 Kd 47 EC50

PDB links: 17 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 87 hits for monomerid = 50200182
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Vitamin D3 receptor (Sus scrofa)	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo Curated by ChEMBL					Assay Description Displacement of [3H]1-alpha,25-(OH)2D3 from VDR in pig intestinal mucosa				J Med Chem 52: 6158-62 (2009) Article DOI: 10.1021/jm900711d BindingDB Entry DOI: 10.7270/Q2N87BRX
Universidad de Oviedo Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D-binding protein (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo Curated by ChEMBL					Assay Description Binding affinity to human vitamin D binding protein				J Med Chem 52: 6158-62 (2009) Article DOI: 10.1021/jm900711d BindingDB Entry DOI: 10.7270/Q2N87BRX
Universidad de Oviedo Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	0.555	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Effect on VDR transcriptional activity in human osteosarcoma cells in presence of 5% fetal calf serum				Bioorg Med Chem Lett 18: 120-3 (2008) Article DOI: 10.1016/j.bmcl.2007.11.007 BindingDB Entry DOI: 10.7270/Q2Q2414J
National Institute of Health Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	0.0106	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Effect on VDR transcriptional activity in human osteosarcoma cells				Bioorg Med Chem Lett 18: 120-3 (2008) Article DOI: 10.1016/j.bmcl.2007.11.007 BindingDB Entry DOI: 10.7270/Q2Q2414J
National Institute of Health Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	3.52	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Effect on VDR transcriptional activity in human Caco-2 cells in presence of 5% fetal calf serum				Bioorg Med Chem Lett 18: 120-3 (2008) Article DOI: 10.1016/j.bmcl.2007.11.007 BindingDB Entry DOI: 10.7270/Q2Q2414J
National Institute of Health Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank 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
Vitamin D receptor (Rattus norvegicus)	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.100	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				3D Structure (crystal)
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	0.5	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 D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Binding affinity to VDR ligand binding domain by fluorescence polarization competition assay				Bioorg Med Chem 18: 4119-37 (2010) Article DOI: 10.1016/j.bmc.2010.03.078 BindingDB Entry DOI: 10.7270/Q2154J17
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at VDR in human HL60 cells assessed as induction of cell differentiation after 96 hrs by NBT assay				J Med Chem 61: 3059-3075 (2018) Article DOI: 10.1021/acs.jmedchem.8b00106 BindingDB Entry DOI: 10.7270/Q24F1T5W
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Showa Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-1,25-(OH)2D3 from N-terminal GST-tagged human recombinant vitamin D receptor ligand binding domain expressed in Escherichia coli...				J Med Chem 60: 8394-8406 (2017) Article DOI: 10.1021/acs.jmedchem.7b00819 BindingDB Entry DOI: 10.7270/Q2SN0C4N
Showa Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Showa Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-1,25D3 from C-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli BL21 (DE3) after 16 hrs by radioligand...				J Med Chem 61: 6339-6349 (2018) Article DOI: 10.1021/acs.jmedchem.8b00774 BindingDB Entry DOI: 10.7270/Q2CF9SNZ
Showa Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	>0.900	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Transactivation of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-SRC-1 and MH100(UAS) X 4tk-LUC reporter plasmid ass...				J Med Chem 61: 6658-6673 (2018) Article DOI: 10.1021/acs.jmedchem.8b00427 BindingDB Entry DOI: 10.7270/Q2M04801
Universidad de Santiago de Compostela Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Transrepression of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-NCoR and MH100(UAS) X 4tk-LUC reporter plasmid asse...				J Med Chem 61: 6658-6673 (2018) Article DOI: 10.1021/acs.jmedchem.8b00427 BindingDB Entry DOI: 10.7270/Q2M04801
Universidad de Santiago de Compostela Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	0.0700	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Transactivation of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-RXRalpha and MH100(UAS) X 4tk-LUC reporter plasmid ...				J Med Chem 61: 6658-6673 (2018) Article DOI: 10.1021/acs.jmedchem.8b00427 BindingDB Entry DOI: 10.7270/Q2M04801
Universidad de Santiago de Compostela Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Agonist activity at VDR in human MCF7 cells assessed as increase in transcription of CYP24A1 gene after 24 hrs by luciferase reporter gene assay				J Med Chem 61: 4928-4937 (2018) Article DOI: 10.1021/acs.jmedchem.8b00337 BindingDB Entry DOI: 10.7270/Q22R3V8W
University of Santiago de Compostela Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of fluormone from human full length VDR after 2 hrs by fluorescence polarization assay				J Med Chem 61: 4928-4937 (2018) Article DOI: 10.1021/acs.jmedchem.8b00337 BindingDB Entry DOI: 10.7270/Q22R3V8W
University of Santiago de Compostela Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of fluormone VDR red from human full length VDR after 4 hrs by fluorescence polarization assay				J Med Chem 61: 3059-3075 (2018) Article DOI: 10.1021/acs.jmedchem.8b00106 BindingDB Entry DOI: 10.7270/Q24F1T5W
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.0953	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain fused VDR (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed as beta-lac...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
Marquette University Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor A (Danio rerio)	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
Centre National de la Recherche Scientifique Curated by ChEMBL					Assay Description Agonist activity at zebrafish gal4-VDR LBD expressed in human MCF7 cells by luciferase reporter gene based transactivation assay				Medchemcomm 2: 424-429 (2011) Article DOI: 10.1039/c1md00059d BindingDB Entry DOI: 10.7270/Q29W0JFT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of fluormone VDR red from human full-length VDR after 4 hrs by fluorescence polarization assay				Eur J Med Chem 157: 1174-1191 (2018) Article DOI: 10.1016/j.ejmech.2018.08.085 BindingDB Entry DOI: 10.7270/Q2WH2SQJ
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	6.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to VDR in scrambled siRNA-transfected human MCF7 cells assessed as cell growth inhibition by measuring reduction in BrdU incorporati...				Eur J Med Chem 157: 1174-1191 (2018) Article DOI: 10.1016/j.ejmech.2018.08.085 BindingDB Entry DOI: 10.7270/Q2WH2SQJ
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Transactivation of recombinant human VDR/RXRalpha expressed in HEK293 cells after 24 hrs by Dual-luciferase reporter gene assay				Eur J Med Chem 157: 1174-1191 (2018) Article DOI: 10.1016/j.ejmech.2018.08.085 BindingDB Entry DOI: 10.7270/Q2WH2SQJ
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...				Eur J Med Chem 107: 48-62 (2016) Article DOI: 10.1016/j.ejmech.2015.10.042 BindingDB Entry DOI: 10.7270/Q2QN69S0
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay				Eur J Med Chem 107: 48-62 (2016) Article DOI: 10.1016/j.ejmech.2015.10.042 BindingDB Entry DOI: 10.7270/Q2QN69S0
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	0.0110	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Agonist activity at human VDR expressed in HOS cells co-expressing human RXR by Dual-Glo luciferase reporter gene assay				Bioorg Med Chem 26: 6146-6152 (2018) Article DOI: 10.1016/j.bmc.2018.11.008
National Institute of Health Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D receptor (Mus musculus)	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Activation of VDR in mouse ASZ001 cells assessed as change in Cyp24A1 mRNA expression after 48 hrs by q-PCR analysis				Eur J Med Chem 162: 495-506 (2019) Article DOI: 10.1016/j.ejmech.2018.11.028
University of Connecticut Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D3 receptor A (Danio rerio)	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
Institut de G£n£tique et de Biologie Mol£culaire et Cellulaire (IGBMC) Curated by ChEMBL					Assay Description Binding affinity to zebrafish VDR LBD assessed as Kd for fluorescein-labeled SRC1 NR2 peptide binding by micro-scale thermophoresis method				J Med Chem 63: 9457-9463 (2020) Article DOI: 10.1021/acs.jmedchem.0c00656
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Ochanomizu University Curated by ChEMBL					Assay Description Agonist activity at VDR in human HL-60 cells assessed as induction of cell differentiation of promyelocytes to monocytes after 4 days by NBT reductio...				J Med Chem 64: 516-526 (2021)
Ochanomizu University Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin D receptor (Bos taurus)	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	0.0480	n/a	n/a	n/a	n/a	n/a	n/a
Ochanomizu University Curated by ChEMBL					Assay Description Displacement of [3H]-1-alpha,25-(OH)2D3 from bovine thymus VDR incubated for 18 hrs by competitive binding assay				J Med Chem 64: 516-526 (2021)
Ochanomizu University Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Ochanomizu University Curated by ChEMBL					Assay Description Agonist activity at human VDR expressed in African green monkey COS7 cells expressing mouse osteopontin VDRE assessed as induction of receptor transa...				J Med Chem 64: 516-526 (2021)
Ochanomizu University Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	n/a	n/a	4.90	n/a	n/a	n/a	n/a
Ochanomizu University Curated by ChEMBL					Assay Description Agonist activity at human VDR expressed in HEK293 cells expressing mouse osteopontin VDRE assessed as induction of receptor transactivation incubated...				J Med Chem 64: 516-526 (2021)
Ochanomizu University Curated by ChEMBL					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor (Homo sapiens (Human))	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
TES Pharma S.r.l. Curated by ChEMBL					Assay Description Agonist activity at human VDR				J Med Chem 59: 9201-9214 (2016)
TES Pharma S.r.l. Curated by ChEMBL					More data for this Ligand-Target Pair

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