Compile Data Set for Download or QSAR

Found 424 hits of ec50 data for polymerid = 5360,50002353,50002354,50002694,50003890,50005810   

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 D3 receptor (Homo sapiens (Human))	BDBM50205233 ((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...) Show SMILES CC[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C Show InChI InChI=1S/C29H48O3/c1-7-21(14-16-28(4,5)32)19(2)25-12-13-26-22(9-8-15-29(25,26)6)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,30-32H,3,7-9,12-18H2,1-2,4-6H3/b22-10+,23-11-/t19-,21+,24+,25+,26?,27-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.00200	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Induction of transactivation of human VDR responsive gene in COS7 cells by rat osteopontin luciferase reporter gene assay				J Med Chem 50: 932-9 (2007) Article DOI: 10.1021/jm060889f BindingDB Entry DOI: 10.7270/Q2Z320FX
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50005618 (CHEMBL2021484) Show SMILES CCC(O)(CC)CSC(C)C1=CCC2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(OCCO)[C@H](O)C1 |r,wU:18.20,31.33,wD:24.26,26.28,t:10,@:26,(-13.31,14.84,;-14.79,14.44,;-15.19,12.96,;-13.71,13.35,;-14.1,11.87,;-12.62,12.26,;-16.68,12.56,;-17.77,13.65,;-19.28,13.33,;-20.31,14.47,;-19.75,11.86,;-18.85,10.61,;-19.75,9.37,;-21.22,9.84,;-22.55,9.07,;-23.88,9.84,;-23.88,11.38,;-22.55,12.15,;-21.22,11.38,;-21.22,12.92,;-22.55,7.53,;-23.88,6.76,;-23.88,5.22,;-25.22,4.45,;-25.22,2.91,;-26.55,2.14,;-23.88,2.14,;-23.88,.6,;-22.55,-.17,;-21.22,.6,;-19.88,-.17,;-22.55,2.91,;-21.22,2.14,;-22.55,4.45,)| Show InChI InChI=1S/C28H46O5S/c1-5-28(32,6-2)18-34-19(3)22-11-12-23-21(8-7-13-27(22,23)4)10-9-20-16-24(30)26(25(31)17-20)33-15-14-29/h9-11,19,23-26,29-32H,5-8,12-18H2,1-4H3/b20-9-,21-10+/t19?,23?,24-,25-,26-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.00210	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay				Bioorg Med Chem 16: 6949-64 (2008) Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50205234 ((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...) Show SMILES C[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C Show InChI InChI=1S/C28H46O3/c1-18(13-15-27(4,5)31)19(2)24-11-12-25-21(8-7-14-28(24,25)6)9-10-22-16-23(29)17-26(30)20(22)3/h9-10,18-19,23-26,29-31H,3,7-8,11-17H2,1-2,4-6H3/b21-9+,22-10-/t18-,19+,23-,24-,25?,26+,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.00300	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Induction of transactivation of human VDR responsive gene in COS7 cells by rat osteopontin luciferase reporter gene assay				J Med Chem 50: 932-9 (2007) Article DOI: 10.1021/jm060889f BindingDB Entry DOI: 10.7270/Q2Z320FX
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50437338 (CHEMBL2407821) Show 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@H](CCn2ncnn2)[C@H](O)C1=C |r| Show InChI InChI=1S/C30H48N4O3/c1-20(8-6-15-29(3,4)37)25-12-13-26-22(9-7-16-30(25,26)5)10-11-23-18-27(35)24(28(36)21(23)2)14-17-34-32-19-31-33-34/h10-11,19-20,24-28,35-37H,2,6-9,12-18H2,1,3-5H3/b22-10+,23-11-/t20-,24+,25-,26+,27-,28-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0100	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay				ACS Med Chem Lett 4: 671-4 (2013) Article DOI: 10.1021/ml400098w BindingDB Entry DOI: 10.7270/Q2959JX8
					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 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 |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	0.0100	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activati...				Bioorg Med Chem Lett 21: 6104-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.047 BindingDB Entry DOI: 10.7270/Q29C6XTD
					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 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 |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
					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 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 |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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 BindingDB Entry DOI: 10.7270/Q25T3PWH
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50565949 (CHEMBL4794075) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC(C)(C)O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0140	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human VDR expressed in HEK293 cells expressing mouse osteopontin VDRE assessed as induction of receptor transactivation incubated...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01420 BindingDB Entry DOI: 10.7270/Q26D5XQ3
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50244268 ((20S)-1-alpha-2-alpha-25-Trihydroxy-2beta-methyl-1...) Show SMILES CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)(O)[C@H](O)C1 |r,wU:13.12,18.20,24.26,wD:29.31,8.8,t:10,(-2.81,-9.71,;-3.92,-10.77,;-3.56,-12.27,;-2.08,-11.86,;-3.2,-13.77,;-1.72,-14.2,;-5.07,-12.59,;-6.1,-11.44,;-7.6,-11.76,;-8.63,-10.62,;-8.08,-13.23,;-7.18,-14.47,;-8.08,-15.71,;-9.54,-15.23,;-10.87,-16,;-12.22,-15.23,;-12.21,-13.69,;-10.87,-12.92,;-9.54,-13.7,;-9.55,-12.16,;-10.87,-17.54,;-12.22,-18.31,;-12.22,-19.85,;-10.88,-20.63,;-10.88,-22.17,;-9.54,-22.94,;-12.22,-22.93,;-11.12,-24.02,;-13.31,-24.02,;-13.53,-22.17,;-14.88,-22.94,;-13.53,-20.63,)| Show InChI InChI=1S/C27H44O4S/c1-6-27(31,7-2)17-32-18(3)21-12-13-22-20(9-8-14-25(21,22)4)11-10-19-15-23(28)26(5,30)24(29)16-19/h10-12,18,22-24,28-31H,6-9,13-17H2,1-5H3/b19-10-,20-11+/t18-,22-,23+,24+,25+,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0170	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay				Bioorg Med Chem 16: 6949-64 (2008) Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Bos taurus)	BDBM50205233 ((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...) Show SMILES CC[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C Show InChI InChI=1S/C29H48O3/c1-7-21(14-16-28(4,5)32)19(2)25-12-13-26-22(9-8-15-29(25,26)6)10-11-23-17-24(30)18-27(31)20(23)3/h10-11,19,21,24-27,30-32H,3,7-9,12-18H2,1-2,4-6H3/b22-10+,23-11-/t19-,21+,24+,25+,26?,27-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0180	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 vitamin D receptor in bovine thymus				J Med Chem 50: 932-9 (2007) Article DOI: 10.1021/jm060889f BindingDB Entry DOI: 10.7270/Q2Z320FX
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50292706 ((1R,3R,7E,17beta)-17-{(1R,2E,4R)-4-hydroxy-1-methy...) Show SMILES [#6]-[#6@H](\[#6]=[#6]\[#6@@H](-[#8])C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#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 |r,TLB:9:10:8.7.13:14,THB:11:10:7:13.12.14,11:12:9.10.15:7,9:8:10.15.11:14| Show InChI InChI=1S/C34H50O3/c1-21(6-11-32(37)34-18-24-13-25(19-34)15-26(14-24)20-34)28-9-10-29-27(5-4-12-33(28,29)3)8-7-23-16-30(35)22(2)31(36)17-23/h6-8,11,21,24-26,28-32,35-37H,2,4-5,9-10,12-20H2,1,3H3/b11-6+,27-8+/t21-,24?,25?,26?,28-,29+,30-,31-,32-,33-,34?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0200	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Agonist activity at VDR assessed as receptor transactivation by transient transcription assay				J Med Chem 51: 5320-9 (2008) Article DOI: 10.1021/jm8004477 BindingDB Entry DOI: 10.7270/Q28C9W2Z
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Rattus norvegicus)	BDBM50304585 ((20S)-1alpha,25-Dihydroxy-2-methylene-18,19-dinorv...) Show SMILES [#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])-[#6@H]-1-[#6]-[#6]-[#6@@H]2-[#6@@H]-1-[#6]-[#6]-[#6]\[#6]-2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C26H42O3/c1-17(7-6-14-26(3,4)29)21-12-13-22-20(8-5-9-23(21)22)11-10-19-15-24(27)18(2)25(28)16-19/h10-11,17,21-25,27-29H,2,5-9,12-16H2,1,3-4H3/b20-11+/t17-,21+,22-,23+,24+,25+/m0/s1	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	0.0200	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Activity at VDR in rat osteosarcoma cells assessed as induction of 24-hydroxylase reporter gene transcription by luciferase reporter gene assay				Bioorg Med Chem 17: 7658-69 (2009) Article DOI: 10.1016/j.bmc.2009.09.047 BindingDB Entry DOI: 10.7270/Q26T0MQM
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50244165 ((1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybut...) Show SMILES CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(OCCO)[C@H](O)C1 |r,wU:18.20,8.8,24.26,13.12,wD:31.33,t:10,(9.74,-21.33,;8.62,-22.39,;8.98,-23.88,;10.47,-23.47,;9.35,-25.38,;10.82,-25.82,;7.48,-24.19,;6.45,-23.04,;4.95,-23.35,;3.92,-22.2,;4.46,-24.81,;5.35,-26.06,;4.44,-27.3,;2.99,-26.81,;1.67,-27.58,;.32,-26.81,;.33,-25.27,;1.67,-24.5,;3,-25.28,;2.99,-23.74,;1.67,-29.12,;.33,-29.89,;.33,-31.43,;1.66,-32.21,;1.66,-33.75,;3,-34.52,;.33,-34.51,;.33,-36.05,;1.67,-36.82,;3,-36.05,;4.33,-36.82,;-1,-33.75,;-2.33,-34.52,;-1,-32.21,)| Show InChI InChI=1S/C28H46O5S/c1-5-28(32,6-2)18-34-19(3)22-11-12-23-21(8-7-13-27(22,23)4)10-9-20-16-24(30)26(25(31)17-20)33-15-14-29/h9-11,19,23-26,29-32H,5-8,12-18H2,1-4H3/b20-9-,21-10+/t19-,23+,24-,25-,26?,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0240	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay				Bioorg Med Chem 16: 6949-64 (2008) Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW
					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 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 |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	0.0260	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay				ACS Med Chem Lett 4: 671-4 (2013) Article DOI: 10.1021/ml400098w BindingDB Entry DOI: 10.7270/Q2959JX8
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50244240 ((20S)-(2E)-1-alpha-25-Dihydroxy-2-[2-(hydroxy)-eth...) Show SMILES CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=CCO)[C@H](O)C1 |r,wU:13.12,30.32,18.20,wD:24.26,8.8,t:10,(-.33,6.64,;-1.45,5.59,;-1.09,4.09,;.39,4.5,;-.73,2.59,;.75,2.16,;-2.6,3.77,;-3.62,4.92,;-5.13,4.61,;-6.16,5.76,;-5.61,3.15,;-4.72,1.9,;-5.62,.66,;-7.08,1.15,;-8.41,.37,;-9.75,1.14,;-9.74,2.69,;-8.41,3.46,;-7.07,2.68,;-7.09,4.22,;-8.41,-1.17,;-9.75,-1.94,;-9.75,-3.48,;-11.08,-4.25,;-11.08,-5.79,;-12.42,-6.57,;-9.75,-6.56,;-9.75,-8.1,;-11.08,-8.87,;-12.43,-8.1,;-8.42,-5.79,;-7.08,-6.57,;-8.42,-4.25,)| Show InChI InChI=1S/C28H44O4S/c1-5-28(32,6-2)18-33-19(3)23-11-12-24-21(8-7-14-27(23,24)4)10-9-20-16-25(30)22(13-15-29)26(31)17-20/h9-11,13,19,24-26,29-32H,5-8,12,14-18H2,1-4H3/b20-9-,21-10+,22-13+/t19-,24-,25+,26+,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0260	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay				Bioorg Med Chem 16: 6949-64 (2008) Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50244164 ((20S)-1-alpha-25-Dihydroxy-2-alpha-(2-hydroxyethox...) Show SMILES CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(OCCO)[C@H](O)C1 |r,wU:18.20,24.26,13.12,wD:8.8,31.33,t:10,(-2.98,-21.45,;-4.09,-22.51,;-3.73,-24.01,;-2.25,-23.6,;-3.37,-25.51,;-1.89,-25.94,;-5.24,-24.32,;-6.26,-23.17,;-7.77,-23.48,;-8.79,-22.33,;-8.26,-24.94,;-7.36,-26.19,;-8.27,-27.42,;-9.73,-26.94,;-11.05,-27.7,;-12.4,-26.94,;-12.39,-25.39,;-11.05,-24.63,;-9.72,-25.4,;-9.73,-23.86,;-11.05,-29.24,;-12.4,-30.01,;-12.4,-31.55,;-11.05,-32.33,;-11.05,-33.87,;-9.72,-34.64,;-12.4,-34.63,;-12.4,-36.17,;-11.05,-36.94,;-9.72,-36.17,;-8.38,-36.94,;-13.71,-33.87,;-15.06,-34.64,;-13.71,-32.33,)| Show InChI InChI=1S/C28H46O5S/c1-5-28(32,6-2)18-34-19(3)22-11-12-23-21(8-7-13-27(22,23)4)10-9-20-16-24(30)26(25(31)17-20)33-15-14-29/h9-11,19,23-26,29-32H,5-8,12-18H2,1-4H3/b20-9-,21-10+/t19-,23-,24+,25+,26?,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0270	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay				Bioorg Med Chem 16: 6949-64 (2008) Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50244241 ((20R)-(2E)-1-alpha-25-Dihydroxy-2-[2-(hydroxy)-eth...) Show SMILES CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=CCO)[C@H](O)C1 |r,wU:13.12,30.32,18.20,8.8,wD:24.26,t:10,(11.14,6.94,;10.03,5.88,;10.38,4.38,;11.86,4.79,;10.74,2.89,;12.22,2.45,;8.87,4.07,;7.85,5.22,;6.34,4.91,;5.31,6.05,;5.86,3.44,;6.75,2.2,;5.85,.96,;4.39,1.44,;3.06,.67,;1.72,1.44,;1.73,2.98,;3.07,3.75,;4.4,2.97,;4.39,4.52,;3.06,-.87,;1.73,-1.64,;1.73,-3.18,;.4,-3.96,;.4,-5.5,;-.94,-6.27,;1.73,-6.26,;1.73,-7.8,;.39,-8.57,;-.94,-7.8,;3.05,-5.5,;4.39,-6.27,;3.05,-3.96,)| Show InChI InChI=1S/C28H44O4S/c1-5-28(32,6-2)18-33-19(3)23-11-12-24-21(8-7-14-27(23,24)4)10-9-20-16-25(30)22(13-15-29)26(31)17-20/h9-11,13,19,24-26,29-32H,5-8,12,14-18H2,1-4H3/b20-9-,21-10+,22-13+/t19-,24+,25-,26-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0290	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay				Bioorg Med Chem 16: 6949-64 (2008) Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50281390 (CHEMBL4159525) Show SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC#C[C@@H](O)C12CC3CC(CC(C3)C1)C2 |r,TLB:33:34:32.31.37:38,THB:35:34:31:37.36.38,35:36:33.34.39:31,33:32:34.39.35:38| Show InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-24-14-25(20-35)16-26(15-24)21-35)30-11-12-31-27(7-5-13-34(30,31)3)9-10-28-17-29(36)18-32(37)23(28)2/h9-10,22,24-26,29-33,36-38H,2,5-7,11-21H2,1,3H3/b27-9+,28-10-/t22-,24?,25?,26?,29-,30-,31+,32+,33-,34-,35?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0300	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Transactivation of VDR (unknown origin) expressed in HEK293 cells harboring TK-Spp X 3-LUC reporter plasmid after 24 hrs by luciferase reporter gene ...				J Med Chem 61: 6658-6673 (2018) Article DOI: 10.1021/acs.jmedchem.8b00427 BindingDB Entry DOI: 10.7270/Q2M04801
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50412386 (CHEMBL2021486) Show SMILES CCCOC1[C@H](O)CC(C[C@H]1O)=C\C=C1/CCC[C@@]2(C)C1CC=C2C(C)SCCC(O)(CC)CC |r,wU:18.19,10.11,wD:5.5,4.3,c:24,@@:4,(-19.88,-.17,;-21.22,.6,;-22.55,-.17,;-23.88,.6,;-23.88,2.14,;-25.22,2.91,;-26.55,2.14,;-25.22,4.45,;-23.88,5.22,;-22.55,4.45,;-22.55,2.91,;-21.22,2.14,;-23.88,6.76,;-22.55,7.53,;-22.55,9.07,;-23.88,9.84,;-23.88,11.38,;-22.55,12.15,;-21.22,11.38,;-21.22,12.92,;-21.22,9.84,;-19.75,9.37,;-18.85,10.61,;-19.75,11.86,;-19.28,13.33,;-20.31,14.47,;-17.77,13.65,;-16.68,12.56,;-15.19,12.96,;-14.1,11.87,;-13.01,10.78,;-14.5,10.38,;-13.41,9.29,;-12.62,12.26,;-11.53,11.18,)| Show InChI InChI=1S/C30H50O4S/c1-6-17-34-28-26(31)19-22(20-27(28)32)11-12-23-10-9-15-29(5)24(13-14-25(23)29)21(4)35-18-16-30(33,7-2)8-3/h11-13,21,25-28,31-33H,6-10,14-20H2,1-5H3/b22-11-,23-12+/t21?,25?,26-,27-,28?,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0300	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay				Bioorg Med Chem 16: 6949-64 (2008) Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Bos taurus)	BDBM50205234 ((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...) Show SMILES C[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C Show InChI InChI=1S/C28H46O3/c1-18(13-15-27(4,5)31)19(2)24-11-12-25-21(8-7-14-28(24,25)6)9-10-22-16-23(29)17-26(30)20(22)3/h9-10,18-19,23-26,29-31H,3,7-8,11-17H2,1-2,4-6H3/b21-9+,22-10-/t18-,19+,23-,24-,25?,26+,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0310	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 vitamin D receptor in bovine thymus				J Med Chem 50: 932-9 (2007) Article DOI: 10.1021/jm060889f BindingDB Entry DOI: 10.7270/Q2Z320FX
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50329706 ((2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimet...) Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r| Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0396	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
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50329706 ((2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimet...) Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r| Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0400	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 BindingDB Entry DOI: 10.7270/Q25T3PWH
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50329706 ((2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimet...) Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r| Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0400	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activati...				Bioorg Med Chem Lett 21: 6104-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.047 BindingDB Entry DOI: 10.7270/Q29C6XTD
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50437335 (CHEMBL2407824) Show 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@H](CCn2nccn2)[C@H](O)C1=C |r| Show InChI InChI=1S/C31H49N3O3/c1-21(8-6-15-30(3,4)37)26-12-13-27-23(9-7-16-31(26,27)5)10-11-24-20-28(35)25(29(36)22(24)2)14-19-34-32-17-18-33-34/h10-11,17-18,21,25-29,35-37H,2,6-9,12-16,19-20H2,1,3-5H3/b23-10+,24-11-/t21-,25+,26-,27+,28-,29-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0440	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay				ACS Med Chem Lett 4: 671-4 (2013) Article DOI: 10.1021/ml400098w BindingDB Entry DOI: 10.7270/Q2959JX8
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Rattus norvegicus)	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show 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 |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.0500	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Displacement of 1-alpha,25-dihydroxyvitamin from rat recombinant VDR				J Med Chem 50: 6154-64 (2007) Article DOI: 10.1021/jm070635+ BindingDB Entry DOI: 10.7270/Q2DB82PM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vitamin D3 receptor (Bos taurus)	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show 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 |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0500	n/a	n/a	n/a	n/a
Showa Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]1,25-(OH)2D3 from bovine thymus vitamin D receptor				J Med Chem 52: 1438-49 (2010) Article DOI: 10.1021/jm8014348 BindingDB Entry DOI: 10.7270/Q2251J6N
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50412386 (CHEMBL2021486) Show SMILES CCCOC1[C@H](O)CC(C[C@H]1O)=C\C=C1/CCC[C@@]2(C)C1CC=C2C(C)SCCC(O)(CC)CC |r,wU:18.19,10.11,wD:5.5,4.3,c:24,@@:4,(-19.88,-.17,;-21.22,.6,;-22.55,-.17,;-23.88,.6,;-23.88,2.14,;-25.22,2.91,;-26.55,2.14,;-25.22,4.45,;-23.88,5.22,;-22.55,4.45,;-22.55,2.91,;-21.22,2.14,;-23.88,6.76,;-22.55,7.53,;-22.55,9.07,;-23.88,9.84,;-23.88,11.38,;-22.55,12.15,;-21.22,11.38,;-21.22,12.92,;-21.22,9.84,;-19.75,9.37,;-18.85,10.61,;-19.75,11.86,;-19.28,13.33,;-20.31,14.47,;-17.77,13.65,;-16.68,12.56,;-15.19,12.96,;-14.1,11.87,;-13.01,10.78,;-14.5,10.38,;-13.41,9.29,;-12.62,12.26,;-11.53,11.18,)| Show InChI InChI=1S/C30H50O4S/c1-6-17-34-28-26(31)19-22(20-27(28)32)11-12-23-10-9-15-29(5)24(13-14-25(23)29)21(4)35-18-16-30(33,7-2)8-3/h11-13,21,25-28,31-33H,6-10,14-20H2,1-5H3/b22-11-,23-12+/t21?,25?,26-,27-,28?,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0580	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay				Bioorg Med Chem 16: 6949-64 (2008) Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Rattus norvegicus)	BDBM50304583 (1alpha,25-Dihydroxy-2-methylene-18,19,21-trinorvit...) Show SMILES [#6]C([#6])([#8])[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6]-[#6@@H]2-[#6@@H]-1-[#6]-[#6]-[#6]\[#6]-2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C25H40O3/c1-17-23(26)15-18(16-24(17)27)10-11-20-8-6-9-21-19(12-13-22(20)21)7-4-5-14-25(2,3)28/h10-11,19,21-24,26-28H,1,4-9,12-16H2,2-3H3/b20-11+/t19-,21+,22-,23+,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0600	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Activity at VDR in rat osteosarcoma cells assessed as induction of 24-hydroxylase reporter gene transcription by luciferase reporter gene assay				Bioorg Med Chem 17: 7658-69 (2009) Article DOI: 10.1016/j.bmc.2009.09.047 BindingDB Entry DOI: 10.7270/Q26T0MQM
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50354990 (CHEMBL1834893) Show SMILES CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@@H](CO)CCO)c(C)c1 |r| Show InChI InChI=1S/C29H44O5/c1-8-29(9-2,23-11-13-26(21(4)17-23)34-24(18-31)14-15-30)22-10-12-25(20(3)16-22)33-19-27(32)28(5,6)7/h10-13,16-17,24,27,30-32H,8-9,14-15,18-19H2,1-7H3/t24-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0600	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activati...				Bioorg Med Chem Lett 21: 6104-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.047 BindingDB Entry DOI: 10.7270/Q29C6XTD
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50198707 ((2E)-(20S)-1alpha,25-dihydroxy-2-[2''-(fluoroethyl...) Show SMILES C[C@@H](CCCC(C)(C)O)C1CCC2\C(CCCC12C)=C\C=C1C[C@@H](O)C(=CCF)[C@H](O)C1 |w:12.11,17.19,9.9,wU:23.25,1.0,wD:29.31,(25.28,-25.48,;26.31,-26.62,;27.81,-26.31,;28.29,-24.84,;29.8,-24.53,;30.28,-23.07,;31.76,-23.5,;28.8,-22.64,;30.67,-21.57,;25.82,-28.08,;26.72,-29.33,;25.81,-30.57,;24.35,-30.1,;23.01,-30.86,;21.68,-30.09,;21.69,-28.55,;23.02,-27.77,;24.35,-28.56,;24.34,-27.01,;23.01,-32.4,;21.69,-33.17,;21.69,-34.71,;23.01,-35.49,;23.01,-37.03,;24.34,-37.8,;21.69,-37.79,;21.69,-39.33,;23.01,-40.1,;24.35,-39.33,;20.36,-37.03,;19.02,-37.8,;20.36,-35.49,)| Show InChI InChI=1S/C28H45FO3/c1-19(7-5-14-27(2,3)32)23-11-12-24-21(8-6-15-28(23,24)4)10-9-20-17-25(30)22(13-16-29)26(31)18-20/h9-10,13,19,23-26,30-32H,5-8,11-12,14-18H2,1-4H3/b20-9-,21-10+,22-13-/t19-,23?,24?,25+,26+,28?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0700	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of human VDR induced-transcriptional transactivation of luciferase reporter gene in COS7 cells after 24 hrs				Bioorg Med Chem 15: 1475-82 (2007) Article DOI: 10.1016/j.bmc.2006.10.069 BindingDB Entry DOI: 10.7270/Q2TT4QK5
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50015318 (CHEMBL3263871) Show SMILES [H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]C#C[#6@@H](-[#8])C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2 |r,THB:35:34:31:37.36.38,35:36:33.34.39:31,38:36:33:39.30.31,38:30:33:37.35.36| Show InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-25-14-26(20-35)16-27(15-25)21-35)29-11-12-30-28(7-5-13-34(29,30)3)10-9-24-17-31(36)23(2)32(37)18-24/h9-10,22,25-27,29-33,36-38H,2,5-7,11-21H2,1,3H3/b28-10+/t22-,25?,26?,27?,29-,30+,31-,32-,33-,34-,35?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0700	n/a	n/a	n/a	n/a
Rikkyo University Curated by ChEMBL					Assay Description Transactivation of human VDR expressed in HEK293 cells cotransfected with mouse VDRE, Tk-Sppx3-LUC reporter plasmid measured after 24 hrs by lucifera...				J Med Chem 57: 4073-87 (2014) Article DOI: 10.1021/jm401989c BindingDB Entry DOI: 10.7270/Q2ZS2Z2G
					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 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 |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Bos taurus)	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show 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 |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0710	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 vitamin D receptor in bovine thymus				J Med Chem 50: 932-9 (2007) Article DOI: 10.1021/jm060889f BindingDB Entry DOI: 10.7270/Q2Z320FX
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50244240 ((20S)-(2E)-1-alpha-25-Dihydroxy-2-[2-(hydroxy)-eth...) Show SMILES CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=CCO)[C@H](O)C1 |r,wU:13.12,30.32,18.20,wD:24.26,8.8,t:10,(-.33,6.64,;-1.45,5.59,;-1.09,4.09,;.39,4.5,;-.73,2.59,;.75,2.16,;-2.6,3.77,;-3.62,4.92,;-5.13,4.61,;-6.16,5.76,;-5.61,3.15,;-4.72,1.9,;-5.62,.66,;-7.08,1.15,;-8.41,.37,;-9.75,1.14,;-9.74,2.69,;-8.41,3.46,;-7.07,2.68,;-7.09,4.22,;-8.41,-1.17,;-9.75,-1.94,;-9.75,-3.48,;-11.08,-4.25,;-11.08,-5.79,;-12.42,-6.57,;-9.75,-6.56,;-9.75,-8.1,;-11.08,-8.87,;-12.43,-8.1,;-8.42,-5.79,;-7.08,-6.57,;-8.42,-4.25,)| Show InChI InChI=1S/C28H44O4S/c1-5-28(32,6-2)18-33-19(3)23-11-12-24-21(8-7-14-27(23,24)4)10-9-20-16-25(30)22(13-15-29)26(31)17-20/h9-11,13,19,24-26,29-32H,5-8,12,14-18H2,1-4H3/b20-9-,21-10+,22-13+/t19-,24-,25+,26+,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0850	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay				Bioorg Med Chem 16: 6949-64 (2008) Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50412385 (CHEMBL2021488) Show SMILES CCCOC1[C@H](O)CC(C[C@H]1O)=C\C=C1/CCC[C@@]2(C)C1CC=C2C(C)SCCCC(O)(CC)CC |r,wU:18.19,10.11,wD:5.5,4.3,c:24,@@:4,(-19.88,-.17,;-21.22,.6,;-22.55,-.17,;-23.88,.6,;-23.88,2.14,;-25.22,2.91,;-26.55,2.14,;-25.22,4.45,;-23.88,5.22,;-22.55,4.45,;-22.55,2.91,;-21.22,2.14,;-23.88,6.76,;-22.55,7.53,;-22.55,9.07,;-23.88,9.84,;-23.88,11.38,;-22.55,12.15,;-21.22,11.38,;-21.22,12.92,;-21.22,9.84,;-19.75,9.37,;-18.85,10.61,;-19.75,11.86,;-19.28,13.33,;-20.31,14.47,;-17.77,13.65,;-16.68,12.56,;-15.19,12.96,;-14.1,11.87,;-12.62,12.26,;-11.19,12.85,;-12.62,13.8,;-11.28,14.57,;-11.53,11.18,;-10.04,11.57,)| Show InChI InChI=1S/C31H52O4S/c1-6-18-35-29-27(32)20-23(21-28(29)33)12-13-24-11-9-16-30(5)25(14-15-26(24)30)22(4)36-19-10-17-31(34,7-2)8-3/h12-14,22,26-29,32-34H,6-11,15-21H2,1-5H3/b23-12-,24-13+/t22?,26?,27-,28-,29?,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0900	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay				Bioorg Med Chem 16: 6949-64 (2008) Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50412385 (CHEMBL2021488) Show SMILES CCCOC1[C@H](O)CC(C[C@H]1O)=C\C=C1/CCC[C@@]2(C)C1CC=C2C(C)SCCCC(O)(CC)CC |r,wU:18.19,10.11,wD:5.5,4.3,c:24,@@:4,(-19.88,-.17,;-21.22,.6,;-22.55,-.17,;-23.88,.6,;-23.88,2.14,;-25.22,2.91,;-26.55,2.14,;-25.22,4.45,;-23.88,5.22,;-22.55,4.45,;-22.55,2.91,;-21.22,2.14,;-23.88,6.76,;-22.55,7.53,;-22.55,9.07,;-23.88,9.84,;-23.88,11.38,;-22.55,12.15,;-21.22,11.38,;-21.22,12.92,;-21.22,9.84,;-19.75,9.37,;-18.85,10.61,;-19.75,11.86,;-19.28,13.33,;-20.31,14.47,;-17.77,13.65,;-16.68,12.56,;-15.19,12.96,;-14.1,11.87,;-12.62,12.26,;-11.19,12.85,;-12.62,13.8,;-11.28,14.57,;-11.53,11.18,;-10.04,11.57,)| Show InChI InChI=1S/C31H52O4S/c1-6-18-35-29-27(32)20-23(21-28(29)33)12-13-24-11-9-16-30(5)25(14-15-26(24)30)22(4)36-19-10-17-31(34,7-2)8-3/h12-14,22,26-29,32-34H,6-11,15-21H2,1-5H3/b23-12-,24-13+/t22?,26?,27-,28-,29?,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0900	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay				Bioorg Med Chem 16: 6949-64 (2008) Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW
					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 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 |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human VDR				Citation and Details Article DOI: 10.1021/acs.jmedchem.6b01126 BindingDB Entry DOI: 10.7270/Q2DF6VVN
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Rattus norvegicus)	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show 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 |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vitamin D3 receptor (Mus musculus)	BDBM50244165 ((1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybut...) Show SMILES CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(OCCO)[C@H](O)C1 |r,wU:18.20,8.8,24.26,13.12,wD:31.33,t:10,(9.74,-21.33,;8.62,-22.39,;8.98,-23.88,;10.47,-23.47,;9.35,-25.38,;10.82,-25.82,;7.48,-24.19,;6.45,-23.04,;4.95,-23.35,;3.92,-22.2,;4.46,-24.81,;5.35,-26.06,;4.44,-27.3,;2.99,-26.81,;1.67,-27.58,;.32,-26.81,;.33,-25.27,;1.67,-24.5,;3,-25.28,;2.99,-23.74,;1.67,-29.12,;.33,-29.89,;.33,-31.43,;1.66,-32.21,;1.66,-33.75,;3,-34.52,;.33,-34.51,;.33,-36.05,;1.67,-36.82,;3,-36.05,;4.33,-36.82,;-1,-33.75,;-2.33,-34.52,;-1,-32.21,)| Show InChI InChI=1S/C28H46O5S/c1-5-28(32,6-2)18-34-19(3)22-11-12-23-21(8-7-13-27(22,23)4)10-9-20-16-24(30)26(25(31)17-20)33-15-14-29/h9-11,19,23-26,29-32H,5-8,12-18H2,1-4H3/b20-9-,21-10+/t19-,23+,24-,25-,26?,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.115	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay				Bioorg Med Chem 16: 6949-64 (2008) Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50244269 ((20R)-1-alpha-2-alpha-25-Trihydroxy-2-beta-methyl-...) Show SMILES CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)(O)[C@H](O)C1 |r,wU:13.12,18.20,24.26,8.8,wD:29.31,t:10,(8.85,-9.48,;7.73,-10.54,;8.1,-12.04,;9.58,-11.63,;8.46,-13.53,;9.94,-13.97,;6.59,-12.36,;5.56,-11.21,;4.06,-11.53,;3.03,-10.38,;3.58,-12.99,;4.48,-14.23,;3.58,-15.47,;2.12,-15,;.79,-15.77,;-.56,-15,;-.55,-13.45,;.79,-12.69,;2.12,-13.46,;2.11,-11.92,;.79,-17.31,;-.55,-18.08,;-.55,-19.62,;.78,-20.39,;.78,-21.93,;2.12,-22.71,;-.55,-22.7,;.54,-23.78,;-1.65,-23.78,;-1.87,-21.93,;-3.21,-22.71,;-1.87,-20.39,)| Show InChI InChI=1S/C27H44O4S/c1-6-27(31,7-2)17-32-18(3)21-12-13-22-20(9-8-14-25(21,22)4)11-10-19-15-23(28)26(5,30)24(29)16-19/h10-12,18,22-24,28-31H,6-9,13-17H2,1-5H3/b19-10-,20-11+/t18-,22+,23-,24-,25-,26?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.120	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay				Bioorg Med Chem 16: 6949-64 (2008) Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW
					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 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 |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	0.120	n/a	n/a	n/a	n/a
Rikkyo University Curated by ChEMBL					Assay Description Agonist activity at VDR in human HEK293 cells assessed as transcriptional activity after 16 to 24 hrs by luciferase reporter gene assay				J Med Chem 58: 9510-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00792 BindingDB Entry DOI: 10.7270/Q22V2HZC
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50281390 (CHEMBL4159525) Show SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC#C[C@@H](O)C12CC3CC(CC(C3)C1)C2 |r,TLB:33:34:32.31.37:38,THB:35:34:31:37.36.38,35:36:33.34.39:31,33:32:34.39.35:38| Show InChI InChI=1S/C35H50O3/c1-22(6-4-8-33(38)35-19-24-14-25(20-35)16-26(15-24)21-35)30-11-12-31-27(7-5-13-34(30,31)3)9-10-28-17-29(36)18-32(37)23(28)2/h9-10,22,24-26,29-33,36-38H,2,5-7,11-21H2,1,3H3/b27-9+,28-10-/t22-,24?,25?,26?,29-,30-,31+,32+,33-,34-,35?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.140	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
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50437336 (CHEMBL2407823) Show 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@H](CCn2cncn2)[C@H](O)C1=C |r| Show InChI InChI=1S/C31H49N3O3/c1-21(8-6-15-30(3,4)37)26-12-13-27-23(9-7-16-31(26,27)5)10-11-24-18-28(35)25(29(36)22(24)2)14-17-34-20-32-19-33-34/h10-11,19-21,25-29,35-37H,2,6-9,12-18H2,1,3-5H3/b23-10+,24-11-/t21-,25+,26-,27+,28-,29-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a
Teikyo University Curated by ChEMBL					Assay Description Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay				ACS Med Chem Lett 4: 671-4 (2013) Article DOI: 10.1021/ml400098w BindingDB Entry DOI: 10.7270/Q2959JX8
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50565950 (CHEMBL4776651) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](CC(C)(C)O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human VDR expressed in HEK293 cells expressing mouse osteopontin VDRE assessed as induction of receptor transactivation incubated...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01420 BindingDB Entry DOI: 10.7270/Q26D5XQ3
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50143770 ((1R,3S)-5-[2-[(3aS,7aR)-1-((R)-5-Hydroxy-1,5-dimet...) Show SMILES C[C@H](CCCC(C)(C)O)C1CC[C@@]2(C)\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C Show InChI InChI=1S/C28H46O3/c1-19(9-7-14-26(3,4)31)24-13-16-27(5)22(10-8-15-28(24,27)6)12-11-21-17-23(29)18-25(30)20(21)2/h11-12,19,23-25,29-31H,2,7-10,13-18H2,1,3-6H3/b21-11+,22-12-/t19-,23-,24?,25+,27+,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.180	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Effective concentration required for inhibition of Vitamin D3 receptor				J Med Chem 47: 1956-61 (2004) Article DOI: 10.1021/jm0310582 BindingDB Entry DOI: 10.7270/Q2Q81CHJ
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Rattus norvegicus)	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show 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 |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Activity at VDR in rat osteosarcoma cells assessed as 24-hydroxylase transcription by reporter gene assay				J Med Chem 50: 6154-64 (2007) Article DOI: 10.1021/jm070635+ BindingDB Entry DOI: 10.7270/Q2DB82PM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vitamin D3 receptor (Rattus norvegicus)	BDBM50304584 (1alpha,25-Dihydroxy-2-methylene-19,21-dinorvitamin...) Show SMILES [#6]C([#6])([#8])[#6]-[#6]-[#6]-[#6]-[#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 |r| Show InChI InChI=1S/C26H42O3/c1-18-23(27)16-19(17-24(18)28)10-11-20-8-7-15-26(4)21(12-13-22(20)26)9-5-6-14-25(2,3)29/h10-11,21-24,27-29H,1,5-9,12-17H2,2-4H3/b20-11+/t21-,22-,23+,24+,26+/m0/s1	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	0.200	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Activity at VDR in rat osteosarcoma cells assessed as induction of 24-hydroxylase reporter gene transcription by luciferase reporter gene assay				Bioorg Med Chem 17: 7658-69 (2009) Article DOI: 10.1016/j.bmc.2009.09.047 BindingDB Entry DOI: 10.7270/Q26T0MQM
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50244241 ((20R)-(2E)-1-alpha-25-Dihydroxy-2-[2-(hydroxy)-eth...) Show SMILES CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=CCO)[C@H](O)C1 |r,wU:13.12,30.32,18.20,8.8,wD:24.26,t:10,(11.14,6.94,;10.03,5.88,;10.38,4.38,;11.86,4.79,;10.74,2.89,;12.22,2.45,;8.87,4.07,;7.85,5.22,;6.34,4.91,;5.31,6.05,;5.86,3.44,;6.75,2.2,;5.85,.96,;4.39,1.44,;3.06,.67,;1.72,1.44,;1.73,2.98,;3.07,3.75,;4.4,2.97,;4.39,4.52,;3.06,-.87,;1.73,-1.64,;1.73,-3.18,;.4,-3.96,;.4,-5.5,;-.94,-6.27,;1.73,-6.26,;1.73,-7.8,;.39,-8.57,;-.94,-7.8,;3.05,-5.5,;4.39,-6.27,;3.05,-3.96,)| Show InChI InChI=1S/C28H44O4S/c1-5-28(32,6-2)18-33-19(3)23-11-12-24-21(8-7-14-27(23,24)4)10-9-20-16-25(30)22(13-15-29)26(31)17-20/h9-11,13,19,24-26,29-32H,5-8,12,14-18H2,1-4H3/b20-9-,21-10+,22-13+/t19-,24+,25-,26-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay				Bioorg Med Chem 16: 6949-64 (2008) Article DOI: 10.1016/j.bmc.2008.05.043 BindingDB Entry DOI: 10.7270/Q2Z60NWW
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Rattus norvegicus)	BDBM50200182 ((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...) Show 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 |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Activity at VDR in rat ROS 17/2.8 cells assessed as transcriptional activation of 24-hydroxylase gene promoter after 16 hrs by luciferase reporter ge...				Bioorg Med Chem 17: 1747-63 (2009) Article DOI: 10.1016/j.bmc.2008.11.082 BindingDB Entry DOI: 10.7270/Q2MK6CRR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50205235 ((20S,22R)-22-methyl-1-alpha-25-dihydroxy-vitamin D...) Show SMILES CCCC[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C Show InChI InChI=1S/C31H52O3/c1-7-8-10-23(16-18-30(4,5)34)21(2)27-14-15-28-24(11-9-17-31(27,28)6)12-13-25-19-26(32)20-29(33)22(25)3/h12-13,21,23,26-29,32-34H,3,7-11,14-20H2,1-2,4-6H3/b24-12+,25-13-/t21-,23+,26+,27+,28?,29-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Induction of transactivation of human VDR responsive gene in COS7 cells by rat osteopontin luciferase reporter gene assay				J Med Chem 50: 932-9 (2007) Article DOI: 10.1021/jm060889f BindingDB Entry DOI: 10.7270/Q2Z320FX
					More data for this Ligand-Target Pair

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