Compile Data Set for Download or QSAR

Found 27 hits of ec50 for UniProtKB: P13053   

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 (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 (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 (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 (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 (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 (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)	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 Agonist activity at rat VDR in ROS 17/2.8 cells transfected with Cyp24a1 reporter plasmid assessed as increase in Cyp24a1 transcription after 16 hrs ...				Bioorg Med Chem 19: 7205-20 (2011) Article DOI: 10.1016/j.bmc.2011.09.048 BindingDB Entry DOI: 10.7270/Q2HM58WB
					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 (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 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				3D Structure (crystal)
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	0.300	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				3D Structure (crystal)
Vitamin D3 receptor (Rattus norvegicus)	BDBM50292629 ((23S)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) Show 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 |r| Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21+,22-,23+,24-,25-,27-/m1/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	0.700	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
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Rattus norvegicus)	BDBM50359362 (CHEMBL1929240) Show SMILES [#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])-[#6]C([#6])([#6])[#6]\[#6]=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C23H40O3/c1-17(10-9-13-23(5,6)26)16-22(3,4)12-8-7-11-19-14-20(24)18(2)21(25)15-19/h7-8,11,17,20-21,24-26H,2,9-10,12-16H2,1,3-6H3/b8-7+/t17-,20+,21+/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	2	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Agonist activity at rat VDR in ROS 17/2.8 cells transfected with Cyp24a1 reporter plasmid assessed as increase in Cyp24a1 transcription after 16 hrs ...				Bioorg Med Chem 19: 7205-20 (2011) Article DOI: 10.1016/j.bmc.2011.09.048 BindingDB Entry DOI: 10.7270/Q2HM58WB
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Rattus norvegicus)	BDBM50292629 ((23S)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) Show 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 |r| Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21+,22-,23+,24-,25-,27-/m1/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	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
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Rattus norvegicus)	BDBM50293270 ((1R,3R)-5-[(E)-(5'R,7'S)-11'-Hydroxy-5',7',11'-tri...) Show SMILES [#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])-[#6]-[#6@@H](-[#6])-[#6]\[#6]=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C22H38O3/c1-16(13-17(2)10-8-12-22(4,5)25)9-6-7-11-19-14-20(23)18(3)21(24)15-19/h6-7,11,16-17,20-21,23-25H,3,8-10,12-15H2,1-2,4-5H3/b7-6+/t16-,17-,20+,21+/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	3	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
Vitamin D3 receptor (Rattus norvegicus)	BDBM50375808 (CHEMBL409470) Show 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 Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21-,22+,23-,24+,25+,27+/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	5	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
Vitamin D3 receptor (Rattus norvegicus)	BDBM50375809 (CHEMBL429347) Show 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 Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21+,22+,23-,24+,25+,27+/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	5	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
Vitamin D3 receptor (Rattus norvegicus)	BDBM50292630 ((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) Show 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 |r| Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21-,22-,23+,24-,25-,27-/m1/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	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
Vitamin D3 receptor (Rattus norvegicus)	BDBM50292315 ((5R,8aR,Z)-7-((E)-2-((3aS,7aR)-1-((R)-6-hydroxy-6-...) Show SMILES C[C@H](CCCC(C)(C)O)C1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C2=CCCO[C@@H]2C1 |w:9.9,t:27| Show InChI InChI=1S/C29H46O3/c1-20(8-5-15-28(2,3)31)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(30)23-10-7-17-32-27(23)19-21/h10-12,20,24-27,30-31H,5-9,13-19H2,1-4H3/b21-11-,22-12+/t20-,24?,25+,26-,27-,29-/m1/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	30	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
Vitamin D3 receptor (Rattus norvegicus)	BDBM50359363 (CHEMBL1929241) Show SMILES [#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])-[#6]C([#6])([#6])[#6]\[#6]=[#6]/[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C23H40O3/c1-17(10-9-13-23(5,6)26)16-22(3,4)12-8-7-11-19-14-20(24)18(2)21(25)15-19/h7-8,11,17,20-21,24-26H,2,9-10,12-16H2,1,3-6H3/b8-7-/t17-,20+,21+/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	30	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Agonist activity at rat VDR in ROS 17/2.8 cells transfected with Cyp24a1 reporter plasmid assessed as increase in Cyp24a1 transcription after 16 hrs ...				Bioorg Med Chem 19: 7205-20 (2011) Article DOI: 10.1016/j.bmc.2011.09.048 BindingDB Entry DOI: 10.7270/Q2HM58WB
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Rattus norvegicus)	BDBM50293268 ((1R,3R)-5-((R)-11-hydroxy-7,11-dimethyldodec-2-eny...) Show SMILES [#6]-[#6@H](-[#6]-[#6]-[#6]\[#6]=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)-[#6]-[#6]-[#6]C([#6])([#6])[#8] |r| Show InChI InChI=1S/C21H36O3/c1-16(11-9-13-21(3,4)24)10-7-5-6-8-12-18-14-19(22)17(2)20(23)15-18/h6,8,12,16,19-20,22-24H,2,5,7,9-11,13-15H2,1,3-4H3/b8-6+/t16-,19-,20-/m1/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	50	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Agonist activity at rat VDR in ROS 17/2.8 cells transfected with Cyp24a1 reporter plasmid assessed as increase in Cyp24a1 transcription after 16 hrs ...				Bioorg Med Chem 19: 7205-20 (2011) Article DOI: 10.1016/j.bmc.2011.09.048 BindingDB Entry DOI: 10.7270/Q2HM58WB
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Rattus norvegicus)	BDBM50293268 ((1R,3R)-5-((R)-11-hydroxy-7,11-dimethyldodec-2-eny...) Show SMILES [#6]-[#6@H](-[#6]-[#6]-[#6]\[#6]=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)-[#6]-[#6]-[#6]C([#6])([#6])[#8] |r| Show InChI InChI=1S/C21H36O3/c1-16(11-9-13-21(3,4)24)10-7-5-6-8-12-18-14-19(22)17(2)20(23)15-18/h6,8,12,16,19-20,22-24H,2,5,7,9-11,13-15H2,1,3-4H3/b8-6+/t16-,19-,20-/m1/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	50	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
Vitamin D3 receptor (Rattus norvegicus)	BDBM50293269 ((1R,3R)-5-[(E)-(5'S,7'S)-11'-hydroxy-5',7',11'-tri...) Show SMILES [#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])-[#6]-[#6@H](-[#6])-[#6]\[#6]=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C22H38O3/c1-16(13-17(2)10-8-12-22(4,5)25)9-6-7-11-19-14-20(23)18(3)21(24)15-19/h6-7,11,16-17,20-21,23-25H,3,8-10,12-15H2,1-2,4-5H3/b7-6+/t16-,17+,20-,21-/m1/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	90	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
Vitamin D3 receptor (Rattus norvegicus)	BDBM50293271 ((7Z)-(20S)-1alpha,25-Dihydroxy-2-methylene-8(12),1...) Show SMILES [#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])\[#6]=[#6](/[#6])-[#6]\[#6]=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C22H36O3/c1-16(13-17(2)10-8-12-22(4,5)25)9-6-7-11-19-14-20(23)18(3)21(24)15-19/h6-7,11,13,17,20-21,23-25H,3,8-10,12,14-15H2,1-2,4-5H3/b7-6-,16-13+/t17-,20+,21+/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	100	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
Vitamin D3 receptor (Rattus norvegicus)	BDBM50293272 ((20S)-1alpha,25-Dihydroxy-2-methylene-8(12),14(17)...) Show SMILES [#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])\[#6]=[#6](/[#6])-[#6]\[#6]=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C22H36O3/c1-16(13-17(2)10-8-12-22(4,5)25)9-6-7-11-19-14-20(23)18(3)21(24)15-19/h6-7,11,13,17,20-21,23-25H,3,8-10,12,14-15H2,1-2,4-5H3/b7-6+,16-13+/t17-,20+,21+/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	100	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
Vitamin D3 receptor (Rattus norvegicus)	BDBM50292315 ((5R,8aR,Z)-7-((E)-2-((3aS,7aR)-1-((R)-6-hydroxy-6-...) Show SMILES C[C@H](CCCC(C)(C)O)C1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C2=CCCO[C@@H]2C1 |w:9.9,t:27| Show InChI InChI=1S/C29H46O3/c1-20(8-5-15-28(2,3)31)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(30)23-10-7-17-32-27(23)19-21/h10-12,20,24-27,30-31H,5-9,13-19H2,1-4H3/b21-11-,22-12+/t20-,24?,25+,26-,27-,29-/m1/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	100	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
Vitamin D3 receptor (Rattus norvegicus)	BDBM50292630 ((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...) Show 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 |r| Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21-,22-,23+,24-,25-,27-/m1/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	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 D3 receptor (Rattus norvegicus)	BDBM50292316 ((5R,8aR,E)-7-((E)-2-((3aS,7aR)-1-((R)-6-hydroxy-6-...) Show SMILES C[C@H](CCCC(C)(C)O)C1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C2=CCCO[C@@H]2C1 |w:9.9,t:27| Show InChI InChI=1S/C29H46O3/c1-20(8-5-15-28(2,3)31)24-13-14-25-22(9-6-16-29(24,25)4)12-11-21-18-26(30)23-10-7-17-32-27(23)19-21/h10-12,20,24-27,30-31H,5-9,13-19H2,1-4H3/b21-11+,22-12+/t20-,24?,25+,26-,27-,29-/m1/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	1.00E+4	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