Compile Data Set for Download or QSAR

Found 28 hits of ec50 for UniProtKB: P48281   

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 (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 (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 (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 (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 (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 (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 (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 (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 (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 (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	1.90	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	4.5	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)	BDBM50521018 (LG-190178) Show SMILES CCC(CC)(c1ccc(OCC(O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.70	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 BindingDB Entry DOI: 10.7270/Q2RN3C88
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	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	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 BindingDB Entry DOI: 10.7270/Q2RN3C88
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50521014 (CHEMBL4459512) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@H](CCC[C@]12C)Nc1cccc(O)c1)[C@H](C)CCCC(C)(C)O |r| Show InChI InChI=1S/C24H39NO2/c1-17(8-6-14-23(2,3)27)20-12-13-21-22(11-7-15-24(20,21)4)25-18-9-5-10-19(26)16-18/h5,9-10,16-17,20-22,25-27H,6-8,11-15H2,1-4H3/t17-,20-,21+,22+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	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 BindingDB Entry DOI: 10.7270/Q2RN3C88
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50521012 (CHEMBL4522782) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@H](CCC[C@]12C)OC(=O)c1cccc(O)c1)[C@H](C)CCCC(C)(C)O |r| Show InChI InChI=1S/C25H38O4/c1-17(8-6-14-24(2,3)28)20-12-13-21-22(11-7-15-25(20,21)4)29-23(27)18-9-5-10-19(26)16-18/h5,9-10,16-17,20-22,26,28H,6-8,11-15H2,1-4H3/t17-,20-,21+,22+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	400	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 BindingDB Entry DOI: 10.7270/Q2RN3C88
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50521013 (CHEBI:17933 | Calcifediol) Show SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)(C)O Show InChI InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	600	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 BindingDB Entry DOI: 10.7270/Q2RN3C88
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50521015 (CHEMBL4580825) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@H](CCC[C@]12C)Nc1ccc(O)cc1)[C@H](C)CCCC(C)(C)O |r| Show InChI InChI=1S/C24H39NO2/c1-17(7-5-15-23(2,3)27)20-13-14-21-22(8-6-16-24(20,21)4)25-18-9-11-19(26)12-10-18/h9-12,17,20-22,25-27H,5-8,13-16H2,1-4H3/t17-,20-,21+,22+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	600	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 BindingDB Entry DOI: 10.7270/Q2RN3C88
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50521017 (CHEMBL4524451) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@H](CNc3cccc(O)c3)CCC[C@]12C)[C@H](C)CCCC(C)(C)OC |r| Show InChI InChI=1S/C26H43NO2/c1-19(9-7-15-25(2,3)29-5)23-13-14-24-20(10-8-16-26(23,24)4)18-27-21-11-6-12-22(28)17-21/h6,11-12,17,19-20,23-24,27-28H,7-10,13-16,18H2,1-5H3/t19-,20+,23-,24+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	600	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 BindingDB Entry DOI: 10.7270/Q2RN3C88
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50521020 (CHEMBL4459996) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@H](CCC[C@]12C)Nc1cccc(O)c1)[C@H](C)CCCC(C)(C)OC |r| Show InChI InChI=1S/C25H41NO2/c1-18(9-7-15-24(2,3)28-5)21-13-14-22-23(12-8-16-25(21,22)4)26-19-10-6-11-20(27)17-19/h6,10-11,17-18,21-23,26-27H,7-9,12-16H2,1-5H3/t18-,21-,22+,23+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	700	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 BindingDB Entry DOI: 10.7270/Q2RN3C88
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50030475 (7-Dehydrocholesterol | CHEBI:28940 | Cholecalcifer...) Show SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C |r| Show InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	900	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 BindingDB Entry DOI: 10.7270/Q2RN3C88
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50521019 (CHEMBL4449816) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@H](CNc3ccc(O)cc3)CCC[C@]12C)[C@H](C)CCCC(C)(C)O |r| Show InChI InChI=1S/C25H41NO2/c1-18(7-5-15-24(2,3)28)22-13-14-23-19(8-6-16-25(22,23)4)17-26-20-9-11-21(27)12-10-20/h9-12,18-19,22-23,26-28H,5-8,13-17H2,1-4H3/t18-,19+,22-,23+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	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 BindingDB Entry DOI: 10.7270/Q2RN3C88
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50521021 (CHEMBL4439766) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@H](CCC[C@]12C)OC(=O)c1cccc(O)c1)[C@H](C)CCCC(C)(C)OC |r| Show InChI InChI=1S/C26H40O4/c1-18(9-7-15-25(2,3)29-5)21-13-14-22-23(12-8-16-26(21,22)4)30-24(28)19-10-6-11-20(27)17-19/h6,10-11,17-18,21-23,27H,7-9,12-16H2,1-5H3/t18-,21-,22+,23+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	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 BindingDB Entry DOI: 10.7270/Q2RN3C88
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Mus musculus)	BDBM50521016 (CHEMBL4438180) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@H](CNc3cccc(O)c3)CCC[C@]12C)[C@H](C)CCCC(C)(C)O |r| Show InChI InChI=1S/C25H41NO2/c1-18(8-6-14-24(2,3)28)22-12-13-23-19(9-7-15-25(22,23)4)17-26-20-10-5-11-21(27)16-20/h5,10-11,16,18-19,22-23,26-28H,6-9,12-15,17H2,1-4H3/t18-,19+,22-,23+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	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 BindingDB Entry DOI: 10.7270/Q2RN3C88
					More data for this Ligand-Target Pair