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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 5866   
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
Macrophage colony-stimulating factor 1


(Mus musculus (Mouse))
BDBM97732
PNG
(US8481564, 8)
Show SMILES CN1CC(CN(C)C1=O)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCC(C)(C)CC1 |t:28|
Show InChI InChI=1S/C25H30N6O2/c1-25(2)9-7-16(8-10-25)20-11-17(18-14-30(3)24(33)31(4)15-18)5-6-21(20)29-23(32)22-27-13-19(12-26)28-22/h5-7,11,13,18H,8-10,14-15H2,1-4H3,(H,27,28)(H,29,32)
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n/an/a 0.400n/an/an/an/a7.5n/a



Janssen Pharmaceutica, N.V.

US Patent


Assay Description
A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-...


US Patent US8481564 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K4Q
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1


(Mus musculus (Mouse))
BDBM97739
PNG
(US8481564, 54)
Show SMILES CN1CC(CN(C)C1=NC#N)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCC(C)(C)CC1 |t:30,(-8.73,-1.92,;-7.39,-2.69,;-6.06,-1.93,;-4.73,-2.69,;-4.73,-4.23,;-6.06,-5,;-6.06,-6.54,;-7.39,-4.23,;-8.73,-5,;-8.73,-6.54,;-8.73,-8.08,;-3.39,-1.93,;-2.06,-2.69,;-.72,-1.93,;-.72,-.38,;.61,.38,;1.94,-.38,;1.94,-1.93,;3.28,.38,;3.28,1.93,;4.74,2.4,;5.65,1.15,;4.74,-.09,;5.51,3.73,;6.28,5.07,;-2.06,.38,;-3.39,-.38,;-2.06,1.93,;-.72,2.69,;-.72,4.23,;-2.06,5,;-3.15,6.09,;-.72,5.77,;-3.39,4.23,;-3.39,2.69,)|
Show InChI InChI=1S/C26H33N7O.C2HF3O2/c1-26(2)10-8-17(9-11-26)21-12-18(19-15-32(4)25(28-3)33(5)16-19)6-7-22(21)31-24(34)23-29-14-20(13-27)30-23;3-2(4,5)1(6)7/h6-8,12,14,19H,9-11,15-16H2,1-5H3,(H,29,30)(H,31,34);(H,6,7)/b28-25-;
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n/an/a 0.420n/an/an/an/a7.5n/a



Janssen Pharmaceutica, N.V.

US Patent


Assay Description
A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-...


US Patent US8481564 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K4Q
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1


(Mus musculus (Mouse))
BDBM97728
PNG
(US8481564, 3)
Show SMILES CC1(C)CCC(=CC1)c1cc(ccc1NC(=O)c1nc(c[nH]1)C#N)C1CC(=O)NC(=O)C1 |c:5|
Show InChI InChI=1S/C24H25N5O3/c1-24(2)7-5-14(6-8-24)18-9-15(16-10-20(30)29-21(31)11-16)3-4-19(18)28-23(32)22-26-13-17(12-25)27-22/h3-5,9,13,16H,6-8,10-11H2,1-2H3,(H,26,27)(H,28,32)(H,29,30,31)
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n/an/a 1n/an/an/an/a7.5n/a



Janssen Pharmaceutica, N.V.

US Patent


Assay Description
A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-...


US Patent US8481564 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K4Q
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1


(Mus musculus (Mouse))
BDBM97733
PNG
(US8481564, 9)
Show SMILES CN1CC(CN(C)C1=O)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCCC1 |t:28|
Show InChI InChI=1S/C24H28N6O2/c1-29-14-18(15-30(2)24(29)32)17-9-10-21(20(11-17)16-7-5-3-4-6-8-16)28-23(31)22-26-13-19(12-25)27-22/h7,9-11,13,18H,3-6,8,14-15H2,1-2H3,(H,26,27)(H,28,31)
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Janssen Pharmaceutica, N.V.

US Patent


Assay Description
A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-...


US Patent US8481564 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K4Q
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1


(Mus musculus (Mouse))
BDBM97737
PNG
(US8481564, 14)
Show SMILES CN1C(=O)CC(CC1=O)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1 |t:28|
Show InChI InChI=1S/C23H23N5O3/c1-28-20(29)10-16(11-21(28)30)15-7-8-19(18(9-15)14-5-3-2-4-6-14)27-23(31)22-25-13-17(12-24)26-22/h5,7-9,13,16H,2-4,6,10-11H2,1H3,(H,25,26)(H,27,31)
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Janssen Pharmaceutica, N.V.

US Patent


Assay Description
A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-...


US Patent US8481564 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K4Q
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1


(Mus musculus (Mouse))
BDBM97727
PNG
(US8481564, 1)
Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1CC(=O)NC(=O)C1)c1nc(c[nH]1)C#N |t:10|
Show InChI InChI=1S/C22H21N5O3/c23-11-16-12-24-21(25-16)22(30)26-18-7-6-14(15-9-19(28)27-20(29)10-15)8-17(18)13-4-2-1-3-5-13/h4,6-8,12,15H,1-3,5,9-10H2,(H,24,25)(H,26,30)(H,27,28,29)
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Janssen Pharmaceutica, N.V.

US Patent


Assay Description
A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-...


US Patent US8481564 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K4Q
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1


(Mus musculus (Mouse))
BDBM97731
PNG
(US8481564, 7)
Show SMILES CN1CC(CN(C)C1=O)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1 |t:28|
Show InChI InChI=1S/C23H26N6O2/c1-28-13-17(14-29(2)23(28)31)16-8-9-20(19(10-16)15-6-4-3-5-7-15)27-22(30)21-25-12-18(11-24)26-21/h6,8-10,12,17H,3-5,7,13-14H2,1-2H3,(H,25,26)(H,27,30)
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n/an/a 1n/an/an/an/a7.5n/a



Janssen Pharmaceutica, N.V.

US Patent


Assay Description
A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-...


US Patent US8481564 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K4Q
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1


(Mus musculus (Mouse))
BDBM97734
PNG
(US8481564, 11)
Show SMILES CN1CC(CN(C)S1(=O)=O)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1 |t:29|
Show InChI InChI=1S/C22H26N6O3S/c1-27-13-17(14-28(2)32(27,30)31)16-8-9-20(19(10-16)15-6-4-3-5-7-15)26-22(29)21-24-12-18(11-23)25-21/h6,8-10,12,17H,3-5,7,13-14H2,1-2H3,(H,24,25)(H,26,29)
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n/an/a 2n/an/an/an/a7.5n/a



Janssen Pharmaceutica, N.V.

US Patent


Assay Description
A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-...


US Patent US8481564 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K4Q
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1


(Mus musculus (Mouse))
BDBM97736
PNG
(US8481564, 13)
Show SMILES CS(=O)(=O)N=C1NCC(CN1)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1 |t:30,(-7.73,-4.07,;-6.4,-3.3,;-6.4,-1.76,;-6.4,-4.84,;-5.07,-4.07,;-3.73,-3.3,;-2.4,-4.07,;-1.07,-3.3,;-1.07,-1.76,;-2.4,-.99,;-3.73,-1.76,;.27,-.99,;1.6,-1.76,;2.94,-.99,;2.94,.55,;4.27,1.32,;5.6,.55,;6.94,1.32,;6.37,-.78,;5.47,-2.03,;6.37,-3.27,;7.84,-2.8,;7.84,-1.26,;5.6,-4.61,;4.83,-5.94,;1.6,1.32,;.27,.55,;1.6,2.86,;2.94,3.63,;2.94,5.17,;1.6,5.94,;.27,5.17,;.27,3.63,)|
Show InChI InChI=1S/C22H25N7O3S/c1-33(31,32)29-22-25-11-16(12-26-22)15-7-8-19(18(9-15)14-5-3-2-4-6-14)28-21(30)20-24-13-17(10-23)27-20/h5,7-9,13,16H,2-4,6,11-12H2,1H3,(H,24,27)(H,28,30)(H2,25,26,29)
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n/an/a 2n/an/an/an/a7.5n/a



Janssen Pharmaceutica, N.V.

US Patent


Assay Description
A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-...


US Patent US8481564 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K4Q
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1


(Mus musculus (Mouse))
BDBM97735
PNG
(US8481564, 12)
Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1CNC(NC1)=NC#N)c1nc(c[nH]1)C#N |t:10,(6.88,1.32,;5.55,.55,;4.22,1.32,;2.88,.55,;2.88,-.99,;1.55,-1.76,;.22,-.99,;.22,.55,;1.55,1.32,;1.55,2.86,;2.88,3.63,;2.88,5.17,;1.55,5.94,;.22,5.17,;.22,3.63,;-1.12,-1.76,;-1.12,-3.3,;-2.45,-4.07,;-3.78,-3.3,;-3.78,-1.76,;-2.45,-.99,;-5.12,-4.07,;-6.45,-3.3,;-7.79,-2.53,;6.32,-.78,;5.42,-2.03,;6.32,-3.27,;7.79,-2.8,;7.79,-1.26,;5.55,-4.61,;4.78,-5.94,)|
Show InChI InChI=1S/C22H22N8O/c23-9-17-12-25-20(29-17)21(31)30-19-7-6-15(8-18(19)14-4-2-1-3-5-14)16-10-26-22(27-11-16)28-13-24/h4,6-8,12,16H,1-3,5,10-11H2,(H,25,29)(H,30,31)(H2,26,27,28)
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n/an/a 3n/an/an/an/a7.5n/a



Janssen Pharmaceutica, N.V.

US Patent


Assay Description
A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-...


US Patent US8481564 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K4Q
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1


(Mus musculus (Mouse))
BDBM97726
PNG
(US8481564, 4)
Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1CNC(=O)NC1)c1nc(c[nH]1)C#N |t:10|
Show InChI InChI=1S/C21H22N6O2/c22-9-16-12-23-19(26-16)20(28)27-18-7-6-14(15-10-24-21(29)25-11-15)8-17(18)13-4-2-1-3-5-13/h4,6-8,12,15H,1-3,5,10-11H2,(H,23,26)(H,27,28)(H2,24,25,29)
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n/an/a 3n/an/an/an/a7.5n/a



Janssen Pharmaceutica, N.V.

US Patent


Assay Description
A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-...


US Patent US8481564 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K4Q
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1


(Mus musculus (Mouse))
BDBM97729
PNG
(US8481564, 5)
Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1CNS(=O)(=O)NC1)c1nc(c[nH]1)C#N |t:10|
Show InChI InChI=1S/C20H22N6O3S/c21-9-16-12-22-19(25-16)20(27)26-18-7-6-14(15-10-23-30(28,29)24-11-15)8-17(18)13-4-2-1-3-5-13/h4,6-8,12,15,23-24H,1-3,5,10-11H2,(H,22,25)(H,26,27)
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n/an/a 3n/an/an/an/a7.5n/a



Janssen Pharmaceutica, N.V.

US Patent


Assay Description
A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-...


US Patent US8481564 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K4Q
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1


(Mus musculus (Mouse))
BDBM97730
PNG
(US8481564, 6)
Show SMILES OCc1cc(NC(=O)c2nc(c[nH]2)C#N)c(cc1C1CNS(=O)(=O)NC1)C1=CCCCC1 |t:29|
Show InChI InChI=1S/C21H24N6O4S/c22-8-16-11-23-20(26-16)21(29)27-19-6-14(12-28)17(15-9-24-32(30,31)25-10-15)7-18(19)13-4-2-1-3-5-13/h4,6-7,11,15,24-25,28H,1-3,5,9-10,12H2,(H,23,26)(H,27,29)
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n/an/a 10n/an/an/an/a7.5n/a



Janssen Pharmaceutica, N.V.

US Patent


Assay Description
A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-...


US Patent US8481564 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K4Q
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1


(Mus musculus (Mouse))
BDBM97738
PNG
(US8481564, 15)
Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1COC(=O)OC1)c1nc(c[nH]1)C#N |t:10|
Show InChI InChI=1S/C21H20N4O4/c22-9-16-10-23-19(24-16)20(26)25-18-7-6-14(15-11-28-21(27)29-12-15)8-17(18)13-4-2-1-3-5-13/h4,6-8,10,15H,1-3,5,11-12H2,(H,23,24)(H,25,26)
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n/an/a>300n/an/an/an/a7.5n/a



Janssen Pharmaceutica, N.V.

US Patent


Assay Description
A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-...


US Patent US8481564 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K4Q
More data for this
Ligand-Target Pair