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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Vitamin D-binding protein' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 D-binding protein


(Homo sapiens)
BDBM36717
PNG
(1,25(OH)2D3)
Show SMILES CC(CCCC(C)(C)O)C1CCC2CC(CCC12C)\C=C\C=C1\C[C@@H](C)C[C@H](C)C1=C
Show InChI InChI=1S/C30H50O/c1-21-18-23(3)24(4)26(19-21)12-8-11-25-15-17-30(7)27(20-25)13-14-28(30)22(2)10-9-16-29(5,6)31/h8,11-12,21-23,25,27-28,31H,4,9-10,13-20H2,1-3,5-7H3/b11-8+,26-12-/t21-,22?,23-,25?,27?,28?,30?/m0/s1
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Article
PubMed
n/an/a 200n/an/an/an/a7.44



Ligand Pharmaceuticals, Inc



Assay Description
DBP competition binding assay were done using human serum (Scantibodies) or rat serum (Gibco-BRL).


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D-binding protein


(Homo sapiens)
BDBM36719
PNG
(LG190119)
Show SMILES Cc1cc(ccc1OCC(=O)C(C)(C)C)C1(CCCCC1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C32H44O4/c1-22-18-24(12-14-26(22)35-20-28(33)30(3,4)5)32(16-10-9-11-17-32)25-13-15-27(23(2)19-25)36-21-29(34)31(6,7)8/h12-15,18-19H,9-11,16-17,20-21H2,1-8H3
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n/an/a>1.00E+3n/an/an/an/a7.44



Ligand Pharmaceuticals, Inc



Assay Description
DBP competition binding assay were done using human serum (Scantibodies) or rat serum (Gibco-BRL).


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D-binding protein


(Homo sapiens)
BDBM36718
PNG
(LG190090)
Show SMILES CC(C)(C)C(=O)COc1ccc(cc1Cl)C(C)(C)c1ccc(OCC(=O)C(C)(C)C)c(Cl)c1
Show InChI InChI=1S/C27H34Cl2O4/c1-25(2,3)23(30)15-32-21-11-9-17(13-19(21)28)27(7,8)18-10-12-22(20(29)14-18)33-16-24(31)26(4,5)6/h9-14H,15-16H2,1-8H3
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n/an/a>1.00E+3n/an/an/an/a7.44



Ligand Pharmaceuticals, Inc



Assay Description
DBP competition binding assay were done using human serum (Scantibodies) or rat serum (Gibco-BRL).


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D-binding protein


(Homo sapiens)
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/a>1.00E+3n/an/an/an/a7.44



Ligand Pharmaceuticals, Inc



Assay Description
DBP competition binding assay were done using human serum (Scantibodies) or rat serum (Gibco-BRL).


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D-binding protein


(Homo sapiens)
BDBM36721
PNG
(LG190176)
Show SMILES CCC(CC)(c1ccc(OCC2CO2)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H38O4/c1-8-28(9-2,21-10-12-24(19(3)14-21)31-17-23-16-30-23)22-11-13-25(20(4)15-22)32-18-26(29)27(5,6)7/h10-15,23H,8-9,16-18H2,1-7H3
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n/an/a>1.00E+3n/an/an/an/a7.44



Ligand Pharmaceuticals, Inc



Assay Description
DBP competition binding assay were done using human serum (Scantibodies) or rat serum (Gibco-BRL).


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D-binding protein


(Homo sapiens)
BDBM36722
PNG
(LG190178)
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/C28H40O5/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/h10-15,23,29-30H,8-9,16-18H2,1-7H3
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n/an/a>1.00E+3n/an/an/an/a7.44



Ligand Pharmaceuticals, Inc



Assay Description
DBP competition binding assay were done using human serum (Scantibodies) or rat serum (Gibco-BRL).


Citation and Details
More data for this
Ligand-Target Pair
Vitamin D-binding protein


(Homo sapiens)
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
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/a 24n/an/an/an/an/a



Universidad de Oviedo

Curated by ChEMBL


Assay Description
Binding affinity to human vitamin D binding protein


Citation and Details
More data for this
Ligand-Target Pair