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PubMed code 26562542

Compile data set for download or QSAR
Found 71 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50200182
PNG
((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
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Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500269
PNG
(CHEMBL3747730)
Show SMILES CCN(CC)CCCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C32H53N3O3/c1-10-32(11-2,25-16-18-27(24(6)22-25)38-23-29(36)31(7,8)9)28-19-17-26(35(28)14-5)30(37)33-20-15-21-34(12-3)13-4/h16-19,22,29,36H,10-15,20-21,23H2,1-9H3,(H,33,37)
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n/an/a 71n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500260
PNG
(CHEMBL3747184)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCN
Show InChI InChI=1S/C27H43N3O3/c1-8-27(9-2,23-14-12-21(30(23)10-3)25(32)29-16-15-28)20-11-13-22(19(4)17-20)33-18-24(31)26(5,6)7/h11-14,17,24,31H,8-10,15-16,18,28H2,1-7H3,(H,29,32)
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n/an/a 194n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500268
PNG
(CHEMBL3746465)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCCN(C)C
Show InChI InChI=1S/C30H49N3O3/c1-10-30(11-2,23-14-16-25(22(4)20-23)36-21-27(34)29(5,6)7)26-17-15-24(33(26)12-3)28(35)31-18-13-19-32(8)9/h14-17,20,27,34H,10-13,18-19,21H2,1-9H3,(H,31,35)
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n/an/a 197n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500270
PNG
(CHEMBL3747703)
Show SMILES CC[C@@H](C)[C@H](NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(O)=O |r|
Show InChI InChI=1S/C31H48N2O5/c1-10-20(5)27(29(36)37)32-28(35)23-15-17-25(33(23)13-4)31(11-2,12-3)22-14-16-24(21(6)18-22)38-19-26(34)30(7,8)9/h14-18,20,26-27,34H,10-13,19H2,1-9H3,(H,32,35)(H,36,37)/t20-,26?,27+/m1/s1
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n/an/a 389n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500264
PNG
(CHEMBL3747394)
Show SMILES CC[C@@H](C)[C@H](NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(O)=O |r|
Show InChI InChI=1S/C31H46N2O5/c1-10-20(5)27(29(36)37)32-28(35)23-15-17-25(33(23)13-4)31(11-2,12-3)22-14-16-24(21(6)18-22)38-19-26(34)30(7,8)9/h14-18,20,27H,10-13,19H2,1-9H3,(H,32,35)(H,36,37)/t20-,27+/m1/s1
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n/an/a 564n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500267
PNG
(CHEMBL3747341)
Show SMILES CCN(CC)CCCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C32H51N3O3/c1-10-32(11-2,25-16-18-27(24(6)22-25)38-23-29(36)31(7,8)9)28-19-17-26(35(28)14-5)30(37)33-20-15-21-34(12-3)13-4/h16-19,22H,10-15,20-21,23H2,1-9H3,(H,33,37)
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n/an/a 863n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500286
PNG
(CHEMBL3747314)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCCN
Show InChI InChI=1S/C27H41N3O3/c1-8-27(9-2,23-14-12-21(30(23)10-3)25(32)29-16-15-28)20-11-13-22(19(4)17-20)33-18-24(31)26(5,6)7/h11-14,17H,8-10,15-16,18,28H2,1-7H3,(H,29,32)
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n/an/a 1.01E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500259
PNG
(CHEMBL3746013)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C32H51N3O4/c1-8-32(9-2,25-12-14-27(24(4)22-25)39-23-29(36)31(5,6)7)28-15-13-26(35(28)10-3)30(37)33-16-11-17-34-18-20-38-21-19-34/h12-15,22,29,36H,8-11,16-21,23H2,1-7H3,(H,33,37)
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n/an/a 1.19E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500273
PNG
(CHEMBL3747293)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C32H49N3O4/c1-8-32(9-2,25-12-14-27(24(4)22-25)39-23-29(36)31(5,6)7)28-15-13-26(35(28)10-3)30(37)33-16-11-17-34-18-20-38-21-19-34/h12-15,22H,8-11,16-21,23H2,1-7H3,(H,33,37)
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n/an/a 3.52E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500258
PNG
(CHEMBL3747642)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCC(OC)OC
Show InChI InChI=1S/C29H46N2O5/c1-10-29(11-2,21-13-15-23(20(4)17-21)36-19-25(32)28(5,6)7)24-16-14-22(31(24)12-3)27(33)30-18-26(34-8)35-9/h13-17,25-26,32H,10-12,18-19H2,1-9H3,(H,30,33)
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n/an/a 5.24E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500255
PNG
(CHEMBL3747395)
Show SMILES CCOc1ccc(NC(=O)c2ccc(n2CC)C(CC)(CC)c2ccc(OCC(O)C(C)(C)C)c(C)c2)cc1
Show InChI InChI=1S/C33H46N2O4/c1-9-33(10-2,24-13-19-28(23(5)21-24)39-22-30(36)32(6,7)8)29-20-18-27(35(29)11-3)31(37)34-25-14-16-26(17-15-25)38-12-4/h13-21,30,36H,9-12,22H2,1-8H3,(H,34,37)
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n/an/a 9.25E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500278
PNG
(CHEMBL3747218)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCC#C
Show InChI InChI=1S/C28H40N2O3/c1-9-17-29-26(32)22-14-16-24(30(22)12-4)28(10-2,11-3)21-13-15-23(20(5)18-21)33-19-25(31)27(6,7)8/h1,13-16,18,25,31H,10-12,17,19H2,2-8H3,(H,29,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500287
PNG
(CHEMBL3746404)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N(CCC#N)CCC#N
Show InChI InChI=1S/C31H44N4O3/c1-8-31(9-2,24-13-15-26(23(4)21-24)38-22-28(36)30(5,6)7)27-16-14-25(35(27)10-3)29(37)34(19-11-17-32)20-12-18-33/h13-16,21,28,36H,8-12,19-20,22H2,1-7H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500257
PNG
(CHEMBL3747093)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)OCc1ccc(F)cc1
Show InChI InChI=1S/C32H42FNO4/c1-8-32(9-2,24-13-17-27(22(4)19-24)37-21-29(35)31(5,6)7)28-18-16-26(34(28)10-3)30(36)38-20-23-11-14-25(33)15-12-23/h11-19,29,35H,8-10,20-21H2,1-7H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500267
PNG
(CHEMBL3747341)
Show SMILES CCN(CC)CCCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C32H51N3O3/c1-10-32(11-2,25-16-18-27(24(6)22-25)38-23-29(36)31(7,8)9)28-19-17-26(35(28)14-5)30(37)33-20-15-21-34(12-3)13-4/h16-19,22H,10-15,20-21,23H2,1-9H3,(H,33,37)
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n/an/an/an/a 22n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500272
PNG
(CHEMBL3747213)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCC(OC)OC
Show InChI InChI=1S/C29H44N2O5/c1-10-29(11-2,21-13-15-23(20(4)17-21)36-19-25(32)28(5,6)7)24-16-14-22(31(24)12-3)27(33)30-18-26(34-8)35-9/h13-17,26H,10-12,18-19H2,1-9H3,(H,30,33)
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n/an/an/an/a 130n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500278
PNG
(CHEMBL3747218)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCC#C
Show InChI InChI=1S/C28H40N2O3/c1-9-17-29-26(32)22-14-16-24(30(22)12-4)28(10-2,11-3)21-13-15-23(20(5)18-21)33-19-25(31)27(6,7)8/h1,13-16,18,25,31H,10-12,17,19H2,2-8H3,(H,29,32)
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n/an/an/an/a 240n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500290
PNG
(CHEMBL3747768)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)N(CCC#N)CCC#N
Show InChI InChI=1S/C31H42N4O3/c1-8-31(9-2,24-13-15-26(23(4)21-24)38-22-28(36)30(5,6)7)27-16-14-25(35(27)10-3)29(37)34(19-11-17-32)20-12-18-33/h13-16,21H,8-12,19-20,22H2,1-7H3
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n/an/an/an/a 870n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500295
PNG
(CHEMBL3746829)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)Oc1ccc(CC(=O)OC)cc1
Show InChI InChI=1S/C34H43NO6/c1-9-34(10-2,25-14-18-28(23(4)20-25)40-22-30(36)33(5,6)7)29-19-17-27(35(29)11-3)32(38)41-26-15-12-24(13-16-26)21-31(37)39-8/h12-20H,9-11,21-22H2,1-8H3
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n/an/an/an/a 2.32E+3n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500296
PNG
(CHEMBL3747151)
Show SMILES CCOC(=O)c1ccc(OC(=O)c2ccc(n2CC)C(CC)(CC)c2ccc(OCC(O)C(C)(C)C)c(C)c2)cc1
Show InChI InChI=1S/C34H45NO6/c1-9-34(10-2,25-15-19-28(23(5)21-25)40-22-30(36)33(6,7)8)29-20-18-27(35(29)11-3)32(38)41-26-16-13-24(14-17-26)31(37)39-12-4/h13-21,30,36H,9-12,22H2,1-8H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500301
PNG
(CHEMBL3746210)
Show SMILES CCOc1ccc(NC(=O)c2ccc(n2CC)C(CC)(CC)c2ccc(OCC(=O)C(C)(C)C)c(C)c2)cc1
Show InChI InChI=1S/C33H44N2O4/c1-9-33(10-2,24-13-19-28(23(5)21-24)39-22-30(36)32(6,7)8)29-20-18-27(35(29)11-3)31(37)34-25-14-16-26(17-15-25)38-12-4/h13-21H,9-12,22H2,1-8H3,(H,34,37)
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n/an/an/an/a>5.00E+4n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500253
PNG
(CHEMBL3746263)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C32H41F3N2O4/c1-8-31(9-2,22-11-17-26(21(4)19-22)40-20-28(38)30(5,6)7)27-18-16-25(37(27)10-3)29(39)36-23-12-14-24(15-13-23)41-32(33,34)35/h11-19,28,38H,8-10,20H2,1-7H3,(H,36,39)
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n/an/an/an/a>5.00E+4n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500255
PNG
(CHEMBL3747395)
Show SMILES CCOc1ccc(NC(=O)c2ccc(n2CC)C(CC)(CC)c2ccc(OCC(O)C(C)(C)C)c(C)c2)cc1
Show InChI InChI=1S/C33H46N2O4/c1-9-33(10-2,24-13-19-28(23(5)21-24)39-22-30(36)32(6,7)8)29-20-18-27(35(29)11-3)31(37)34-25-14-16-26(17-15-25)38-12-4/h13-21,30,36H,9-12,22H2,1-8H3,(H,34,37)
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n/an/an/an/a 630n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500271
PNG
(CHEMBL3745867)
Show SMILES CCOC(=O)CN(C)C(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C30H44N2O5/c1-10-30(11-2,22-14-16-24(21(5)18-22)37-20-26(33)29(6,7)8)25-17-15-23(32(25)12-3)28(35)31(9)19-27(34)36-13-4/h14-18H,10-13,19-20H2,1-9H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500268
PNG
(CHEMBL3746465)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCCN(C)C
Show InChI InChI=1S/C30H49N3O3/c1-10-30(11-2,23-14-16-25(22(4)20-23)36-21-27(34)29(5,6)7)26-17-15-24(33(26)12-3)28(35)31-18-13-19-32(8)9/h14-17,20,27,34H,10-13,18-19,21H2,1-9H3,(H,31,35)
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n/an/an/an/a 37n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500277
PNG
(CHEMBL3746368)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)OCc1ccccn1
Show InChI InChI=1S/C31H40N2O4/c1-8-31(9-2,23-14-16-26(22(4)19-23)36-21-28(34)30(5,6)7)27-17-15-25(33(27)10-3)29(35)37-20-24-13-11-12-18-32-24/h11-19H,8-10,20-21H2,1-7H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500281
PNG
(CHEMBL3746290)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCCBr
Show InChI InChI=1S/C27H39BrN2O3/c1-8-27(9-2,23-14-12-21(30(23)10-3)25(32)29-16-15-28)20-11-13-22(19(4)17-20)33-18-24(31)26(5,6)7/h11-14,17H,8-10,15-16,18H2,1-7H3,(H,29,32)
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n/an/an/an/a 1.90E+3n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500286
PNG
(CHEMBL3747314)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCCN
Show InChI InChI=1S/C27H41N3O3/c1-8-27(9-2,23-14-12-21(30(23)10-3)25(32)29-16-15-28)20-11-13-22(19(4)17-20)33-18-24(31)26(5,6)7/h11-14,17H,8-10,15-16,18,28H2,1-7H3,(H,29,32)
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n/an/an/an/a 120n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500298
PNG
(CHEMBL3747092)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)OCCC#C
Show InChI InChI=1S/C29H39NO4/c1-9-13-18-33-27(32)23-15-17-25(30(23)12-4)29(10-2,11-3)22-14-16-24(21(5)19-22)34-20-26(31)28(6,7)8/h1,14-17,19H,10-13,18,20H2,2-8H3
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n/an/an/an/a 2.88E+4n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500299
PNG
(CHEMBL3745811)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)OCc1ccccn1
Show InChI InChI=1S/C31H42N2O4/c1-8-31(9-2,23-14-16-26(22(4)19-23)36-21-28(34)30(5,6)7)27-17-15-25(33(27)10-3)29(35)37-20-24-13-11-12-18-32-24/h11-19,28,34H,8-10,20-21H2,1-7H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500254
PNG
(CHEMBL3746693)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C32H41F3N2O3/c1-8-31(9-2,22-14-16-26(21(4)18-22)40-20-28(38)30(5,6)7)27-17-15-25(37(27)10-3)29(39)36-24-13-11-12-23(19-24)32(33,34)35/h11-19,28,38H,8-10,20H2,1-7H3,(H,36,39)
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n/an/an/an/a>5.00E+4n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500261
PNG
(CHEMBL3747711)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N(C)c1ccccc1
Show InChI InChI=1S/C32H44N2O3/c1-9-32(10-2,24-17-19-27(23(4)21-24)37-22-29(35)31(5,6)7)28-20-18-26(34(28)11-3)30(36)33(8)25-15-13-12-14-16-25/h12-21,29,35H,9-11,22H2,1-8H3
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n/an/an/an/a 6.40E+3n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500291
PNG
(CHEMBL3746520)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCN(C)C
Show InChI InChI=1S/C29H47N3O3/c1-10-29(11-2,22-13-15-24(21(4)19-22)35-20-26(33)28(5,6)7)25-16-14-23(32(25)12-3)27(34)30-17-18-31(8)9/h13-16,19,26,33H,10-12,17-18,20H2,1-9H3,(H,30,34)
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n/an/an/an/a 14n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500270
PNG
(CHEMBL3747703)
Show SMILES CC[C@@H](C)[C@H](NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(O)=O |r|
Show InChI InChI=1S/C31H48N2O5/c1-10-20(5)27(29(36)37)32-28(35)23-15-17-25(33(23)13-4)31(11-2,12-3)22-14-16-24(21(6)18-22)38-19-26(34)30(7,8)9/h14-18,20,26-27,34H,10-13,19H2,1-9H3,(H,32,35)(H,36,37)/t20-,26?,27+/m1/s1
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n/an/an/an/a 2.30n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500302
PNG
(CHEMBL3745792)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N(C)CCC#N
Show InChI InChI=1S/C29H43N3O3/c1-9-29(10-2,22-13-15-24(21(4)19-22)35-20-26(33)28(5,6)7)25-16-14-23(32(25)11-3)27(34)31(8)18-12-17-30/h13-16,19,26,33H,9-12,18,20H2,1-8H3
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n/an/an/an/a 1.96E+3n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50200182
PNG
((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
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n/an/an/an/a 9n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500260
PNG
(CHEMBL3747184)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCN
Show InChI InChI=1S/C27H43N3O3/c1-8-27(9-2,23-14-12-21(30(23)10-3)25(32)29-16-15-28)20-11-13-22(19(4)17-20)33-18-24(31)26(5,6)7/h11-14,17,24,31H,8-10,15-16,18,28H2,1-7H3,(H,29,32)
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n/an/an/an/a 10n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500266
PNG
(CHEMBL3746622)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C32H39F3N2O4/c1-8-31(9-2,22-11-17-26(21(4)19-22)40-20-28(38)30(5,6)7)27-18-16-25(37(27)10-3)29(39)36-23-12-14-24(15-13-23)41-32(33,34)35/h11-19H,8-10,20H2,1-7H3,(H,36,39)
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n/an/an/an/a>5.00E+4n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500273
PNG
(CHEMBL3747293)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C32H49N3O4/c1-8-32(9-2,25-12-14-27(24(4)22-25)39-23-29(36)31(5,6)7)28-15-13-26(35(28)10-3)30(37)33-16-11-17-34-18-20-38-21-19-34/h12-15,22H,8-11,16-21,23H2,1-7H3,(H,33,37)
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n/an/an/an/a 240n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500274
PNG
(CHEMBL3747624)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)N(C)CCC#N
Show InChI InChI=1S/C29H41N3O3/c1-9-29(10-2,22-13-15-24(21(4)19-22)35-20-26(33)28(5,6)7)25-16-14-23(32(25)11-3)27(34)31(8)18-12-17-30/h13-16,19H,9-12,18,20H2,1-8H3
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n/an/an/an/a 9.80E+3n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500280
PNG
(CHEMBL3746576)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)OC(C)CCO
Show InChI InChI=1S/C29H43NO5/c1-9-29(10-2,22-12-14-24(20(4)18-22)34-19-26(32)28(6,7)8)25-15-13-23(30(25)11-3)27(33)35-21(5)16-17-31/h12-15,18,21,31H,9-11,16-17,19H2,1-8H3
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n/an/an/an/a 380n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500292
PNG
(CHEMBL3746222)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCBr
Show InChI InChI=1S/C27H41BrN2O3/c1-8-27(9-2,23-14-12-21(30(23)10-3)25(32)29-16-15-28)20-11-13-22(19(4)17-20)33-18-24(31)26(5,6)7/h11-14,17,24,31H,8-10,15-16,18H2,1-7H3,(H,29,32)
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n/an/an/an/a 130n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500293
PNG
(CHEMBL3746130)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)N(C)CC(O)=O
Show InChI InChI=1S/C28H40N2O5/c1-9-28(10-2,20-12-14-22(19(4)16-20)35-18-24(31)27(5,6)7)23-15-13-21(30(23)11-3)26(34)29(8)17-25(32)33/h12-16H,9-11,17-18H2,1-8H3,(H,32,33)
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n/an/an/an/a 1.39E+3n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50233329
PNG
(CHEMBL3747640)
Show SMILES CCN(CC)CCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C31H51N3O3/c1-10-31(11-2,24-15-17-26(23(6)21-24)37-22-28(35)30(7,8)9)27-18-16-25(34(27)14-5)29(36)32-19-20-33(12-3)13-4/h15-18,21,28,35H,10-14,19-20,22H2,1-9H3,(H,32,36)
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n/an/an/an/a 110n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500258
PNG
(CHEMBL3747642)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCC(OC)OC
Show InChI InChI=1S/C29H46N2O5/c1-10-29(11-2,21-13-15-23(20(4)17-21)36-19-25(32)28(5,6)7)24-16-14-22(31(24)12-3)27(33)30-18-26(34-8)35-9/h13-17,25-26,32H,10-12,18-19H2,1-9H3,(H,30,33)
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n/an/an/an/a 150n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500264
PNG
(CHEMBL3747394)
Show SMILES CC[C@@H](C)[C@H](NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(O)=O |r|
Show InChI InChI=1S/C31H46N2O5/c1-10-20(5)27(29(36)37)32-28(35)23-15-17-25(33(23)13-4)31(11-2,12-3)22-14-16-24(21(6)18-22)38-19-26(34)30(7,8)9/h14-18,20,27H,10-13,19H2,1-9H3,(H,32,35)(H,36,37)/t20-,27+/m1/s1
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n/an/an/an/a 10n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500265
PNG
(CHEMBL3746880)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N(C)CC(O)=O
Show InChI InChI=1S/C28H42N2O5/c1-9-28(10-2,20-12-14-22(19(4)16-20)35-18-24(31)27(5,6)7)23-15-13-21(30(23)11-3)26(34)29(8)17-25(32)33/h12-16,24,31H,9-11,17-18H2,1-8H3,(H,32,33)
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n/an/an/an/a 740n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500275
PNG
(CHEMBL3745834)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)N(C)c1ccccc1
Show InChI InChI=1S/C32H42N2O3/c1-9-32(10-2,24-17-19-27(23(4)21-24)37-22-29(35)31(5,6)7)28-20-18-26(34(28)11-3)30(36)33(8)25-15-13-12-14-16-25/h12-21H,9-11,22H2,1-8H3
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n/an/an/an/a 1.85E+4n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500276
PNG
(CHEMBL3747701)
Show SMILES CCOC(=O)CN(C)C(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C30H46N2O5/c1-10-30(11-2,22-14-16-24(21(5)18-22)37-20-26(33)29(6,7)8)25-17-15-23(32(25)12-3)28(35)31(9)19-27(34)36-13-4/h14-18,26,33H,10-13,19-20H2,1-9H3
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n/an/an/an/a 210n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500285
PNG
(CHEMBL3746653)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N(C)CC=C
Show InChI InChI=1S/C29H44N2O3/c1-10-18-30(9)27(33)23-15-17-25(31(23)13-4)29(11-2,12-3)22-14-16-24(21(5)19-22)34-20-26(32)28(6,7)8/h10,14-17,19,26,32H,1,11-13,18,20H2,2-9H3
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n/an/an/an/a 3.95E+3n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM36720
PNG
(LG190155)
Show SMILES CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C31H44O4/c1-11-31(12-2,23-13-15-25(21(3)17-23)34-19-27(32)29(5,6)7)24-14-16-26(22(4)18-24)35-20-28(33)30(8,9)10/h13-18H,11-12,19-20H2,1-10H3
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n/an/an/an/a 590n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500250
PNG
(CHEMBL3745944)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)N(C)CC=C
Show InChI InChI=1S/C29H42N2O3/c1-10-18-30(9)27(33)23-15-17-25(31(23)13-4)29(11-2,12-3)22-14-16-24(21(5)19-22)34-20-26(32)28(6,7)8/h10,14-17,19H,1,11-13,18,20H2,2-9H3
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n/an/an/an/a 2.16E+4n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500252
PNG
(CHEMBL3746619)
Show SMILES CCOC(=O)c1ccc(OC(=O)c2ccc(n2CC)C(CC)(CC)c2ccc(OCC(=O)C(C)(C)C)c(C)c2)cc1
Show InChI InChI=1S/C34H43NO6/c1-9-34(10-2,25-15-19-28(23(5)21-25)40-22-30(36)33(6,7)8)29-20-18-27(35(29)11-3)32(38)41-26-16-13-24(14-17-26)31(37)39-12-4/h13-21H,9-12,22H2,1-8H3
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n/an/an/an/a 4.56E+4n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500256
PNG
(CHEMBL3746817)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)Oc1ccc(CCO)cc1
Show InChI InChI=1S/C33H45NO5/c1-8-33(9-2,25-13-17-28(23(4)21-25)38-22-30(36)32(5,6)7)29-18-16-27(34(29)10-3)31(37)39-26-14-11-24(12-15-26)19-20-35/h11-18,21,30,35-36H,8-10,19-20,22H2,1-7H3
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n/an/an/an/a 5.10E+3n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500262
PNG
(CHEMBL3747246)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)OC(C)C#C
Show InChI InChI=1S/C29H41NO4/c1-10-21(6)34-27(32)23-15-17-25(30(23)13-4)29(11-2,12-3)22-14-16-24(20(5)18-22)33-19-26(31)28(7,8)9/h1,14-18,21,26,31H,11-13,19H2,2-9H3
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n/an/an/an/a 200n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500263
PNG
(CHEMBL3747284)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)OCCC#C
Show InChI InChI=1S/C29H41NO4/c1-9-13-18-33-27(32)23-15-17-25(30(23)12-4)29(10-2,11-3)22-14-16-24(21(5)19-22)34-20-26(31)28(6,7)8/h1,14-17,19,26,31H,10-13,18,20H2,2-8H3
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n/an/an/an/a 1.03E+3n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500283
PNG
(CHEMBL3747296)
Show SMILES CC[C@@H](C)[C@H](NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)OC |r|
Show InChI InChI=1S/C32H50N2O5/c1-11-21(5)28(30(37)38-10)33-29(36)24-16-18-26(34(24)14-4)32(12-2,13-3)23-15-17-25(22(6)19-23)39-20-27(35)31(7,8)9/h15-19,21,27-28,35H,11-14,20H2,1-10H3,(H,33,36)/t21-,27?,28+/m1/s1
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n/an/an/an/a 26n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500284
PNG
(CHEMBL3746161)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)OCc1ccc(F)cc1
Show InChI InChI=1S/C32H40FNO4/c1-8-32(9-2,24-13-17-27(22(4)19-24)37-21-29(35)31(5,6)7)28-18-16-26(34(28)10-3)30(36)38-20-23-11-14-25(33)15-12-23/h11-19H,8-10,20-21H2,1-7H3
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n/an/an/an/a 9.50E+3n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500288
PNG
(CHEMBL3746116)
Show SMILES CC[C@@H](C)[C@H](NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)OC |r|
Show InChI InChI=1S/C32H48N2O5/c1-11-21(5)28(30(37)38-10)33-29(36)24-16-18-26(34(24)14-4)32(12-2,13-3)23-15-17-25(22(6)19-23)39-20-27(35)31(7,8)9/h15-19,21,28H,11-14,20H2,1-10H3,(H,33,36)/t21-,28+/m1/s1
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n/an/an/an/a 590n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500289
PNG
(CHEMBL3746676)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCC#C
Show InChI InChI=1S/C28H38N2O3/c1-9-17-29-26(32)22-14-16-24(30(22)12-4)28(10-2,11-3)21-13-15-23(20(5)18-21)33-19-25(31)27(6,7)8/h1,13-16,18H,10-12,17,19H2,2-8H3,(H,29,32)
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n/an/an/an/a 2.20E+3n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500297
PNG
(CHEMBL3746415)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)OC(C)C#C
Show InChI InChI=1S/C29H39NO4/c1-10-21(6)34-27(32)23-15-17-25(30(23)13-4)29(11-2,12-3)22-14-16-24(20(5)18-22)33-19-26(31)28(7,8)9/h1,14-18,21H,11-13,19H2,2-9H3
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n/an/an/an/a 210n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50441900
PNG
(CHEMBL2434990)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N[C@@H](C)CO |r|
Show InChI InChI=1S/C28H44N2O4/c1-9-28(10-2,24-15-13-22(30(24)11-3)26(33)29-20(5)17-31)21-12-14-23(19(4)16-21)34-18-25(32)27(6,7)8/h12-16,20,25,31-32H,9-11,17-18H2,1-8H3,(H,29,33)/t20-,25?/m0/s1
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n/an/an/an/a 8.5n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500259
PNG
(CHEMBL3746013)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C32H51N3O4/c1-8-32(9-2,25-12-14-27(24(4)22-25)39-23-29(36)31(5,6)7)28-15-13-26(35(28)10-3)30(37)33-16-11-17-34-18-20-38-21-19-34/h12-15,22,29,36H,8-11,16-21,23H2,1-7H3,(H,33,37)
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n/an/an/an/a 18n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500279
PNG
(CHEMBL3747383)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCCN(C)C
Show InChI InChI=1S/C29H45N3O3/c1-10-29(11-2,22-13-15-24(21(4)19-22)35-20-26(33)28(5,6)7)25-16-14-23(32(25)12-3)27(34)30-17-18-31(8)9/h13-16,19H,10-12,17-18,20H2,1-9H3,(H,30,34)
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n/an/an/an/a 77n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500282
PNG
(CHEMBL3747675)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCCCN(C)C
Show InChI InChI=1S/C30H47N3O3/c1-10-30(11-2,23-14-16-25(22(4)20-23)36-21-27(34)29(5,6)7)26-17-15-24(33(26)12-3)28(35)31-18-13-19-32(8)9/h14-17,20H,10-13,18-19,21H2,1-9H3,(H,31,35)
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n/an/an/an/a 96n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500269
PNG
(CHEMBL3747730)
Show SMILES CCN(CC)CCCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C32H53N3O3/c1-10-32(11-2,25-16-18-27(24(6)22-25)38-23-29(36)31(7,8)9)28-19-17-26(35(28)14-5)30(37)33-20-15-21-34(12-3)13-4/h16-19,22,29,36H,10-15,20-21,23H2,1-9H3,(H,33,37)
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n/an/an/an/a 66n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500294
PNG
(CHEMBL3747559)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C32H39F3N2O3/c1-8-31(9-2,22-14-16-26(21(4)18-22)40-20-28(38)30(5,6)7)27-17-15-25(37(27)10-3)29(39)36-24-13-11-12-23(19-24)32(33,34)35/h11-19H,8-10,20H2,1-7H3,(H,36,39)
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n/an/an/an/a>5.00E+4n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500300
PNG
(CHEMBL3746400)
Show SMILES CCOC(=O)CC(C)OC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C31H45NO6/c1-10-31(11-2,23-14-16-25(21(5)18-23)37-20-27(33)30(7,8)9)26-17-15-24(32(26)12-3)29(35)38-22(6)19-28(34)36-13-4/h14-18,22H,10-13,19-20H2,1-9H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500251
PNG
(CHEMBL3746078)
Show SMILES CCN(CC)CCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C31H49N3O3/c1-10-31(11-2,24-15-17-26(23(6)21-24)37-22-28(35)30(7,8)9)27-18-16-25(34(27)14-5)29(36)32-19-20-33(12-3)13-4/h15-18,21H,10-14,19-20,22H2,1-9H3,(H,32,36)
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n/an/an/an/a 91n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50500287
PNG
(CHEMBL3746404)
Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N(CCC#N)CCC#N
Show InChI InChI=1S/C31H44N4O3/c1-8-31(9-2,24-13-15-26(23(4)21-24)38-22-28(36)30(5,6)7)27-16-14-25(35(27)10-3)29(37)34(19-11-17-32)20-12-18-33/h13-16,21,28,36H,8-12,19-20,22H2,1-7H3
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n/an/an/an/a 97n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...

Eur J Med Chem 107: 48-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.042
BindingDB Entry DOI: 10.7270/Q2QN69S0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%