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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 394.4
BDBM119033
Wt: 379.4
BDBM119036
Wt: 378.4
BDBM119038
Wt: 391.4
BDBM50443141
Wt: 332.3
BDBM198839
Wt: 391.4
BDBM198840
Wt: 392.4
BDBM198841
Wt: 363.4
BDBM198844
Wt: 364.3
BDBM198845
Wt: 382.4
BDBM198846
Wt: 391.4
BDBM198847
Wt: 366.4
BDBM198848
Wt: 378.4
BDBM198850
Wt: 362.3
BDBM198875
Wt: 361.4
BDBM198883
Displayed 1 to 15 (of 85 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 21 hits in this display   
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 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM198883
PNG
(US9221797, 68)
Show SMILES CNCC(=C)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C21H23N5O/c1-14(12-23-2)16-8-9-19(18(10-16)15-6-4-3-5-7-15)26-21(27)20-24-13-17(11-22)25-20/h6,8-10,13,23H,1,3-5,7,12H2,2H3,(H,24,25)(H,26,27)
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n/an/a 1.60n/an/an/an/a7.5n/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM198847
PNG
(US9221797, 10)
Show SMILES CC1(C)CCC(=CC1)c1cc(CCC(N)=O)ccc1NC(=O)c1nc(c[nH]1)C#N
Show InChI InChI=1S/C22H25N5O2/c1-22(2)9-7-15(8-10-22)17-11-14(4-6-19(24)28)3-5-18(17)27-21(29)20-25-13-16(12-23)26-20/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H2,24,28)(H,25,26)(H,27,29)
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Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM119033
PNG
(US8674100, 46 | US9221797, 46)
Show SMILES CC1(C)CCC(=CC1)c1cc(ccc1NC(=O)c1ncc([nH]1)C#N)C(O)C(O)=O
Show InChI InChI=1S/C21H22N4O4/c1-21(2)7-5-12(6-8-21)15-9-13(17(26)20(28)29)3-4-16(15)25-19(27)18-23-11-14(10-22)24-18/h3-5,9,11,17,26H,6-8H2,1-2H3,(H,23,24)(H,25,27)(H,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 US8674100 (2014)


BindingDB Entry DOI: 10.7270/Q23777CF
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM119033
PNG
(US8674100, 46 | US9221797, 46)
Show SMILES CC1(C)CCC(=CC1)c1cc(ccc1NC(=O)c1ncc([nH]1)C#N)C(O)C(O)=O
Show InChI InChI=1S/C21H22N4O4/c1-21(2)7-5-12(6-8-21)15-9-13(17(26)20(28)29)3-4-16(15)25-19(27)18-23-11-14(10-22)24-18/h3-5,9,11,17,26H,6-8H2,1-2H3,(H,23,24)(H,25,27)(H,28,29)
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Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM198844
PNG
(US9221797, 7)
Show SMILES NC(=O)CCc1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C20H21N5O2/c21-11-15-12-23-19(24-15)20(27)25-17-8-6-13(7-9-18(22)26)10-16(17)14-4-2-1-3-5-14/h4,6,8,10,12H,1-3,5,7,9H2,(H2,22,26)(H,23,24)(H,25,27)
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Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50443141
PNG
(CHEMBL3085983 | US9221797, 44)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1C1=CCCCC1)c1ncc([nH]1)C#N
Show InChI InChI=1S/C22H25N5O2/c23-13-18-14-24-21(25-18)22(28)26-20-7-6-16(15-27-8-10-29-11-9-27)12-19(20)17-4-2-1-3-5-17/h4,6-7,12,14H,1-3,5,8-11,15H2,(H,24,25)(H,26,28)
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n/an/a 3.20n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of FMS (unknown origin)


Bioorg Med Chem Lett 23: 6363-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.061
BindingDB Entry DOI: 10.7270/Q2MP54RH
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM198875
PNG
(US9221797, 48)
Show SMILES OC(=O)C=Cc1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C20H18N4O3/c21-11-15-12-22-19(23-15)20(27)24-17-8-6-13(7-9-18(25)26)10-16(17)14-4-2-1-3-5-14/h4,6-10,12H,1-3,5H2,(H,22,23)(H,24,27)(H,25,26)/b9-7-
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Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM50443141
PNG
(CHEMBL3085983 | US9221797, 44)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1C1=CCCCC1)c1ncc([nH]1)C#N
Show InChI InChI=1S/C22H25N5O2/c23-13-18-14-24-21(25-18)22(28)26-20-7-6-16(15-27-8-10-29-11-9-27)12-19(20)17-4-2-1-3-5-17/h4,6-7,12,14H,1-3,5,8-11,15H2,(H,24,25)(H,26,28)
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Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM198875
PNG
(US9221797, 48)
Show SMILES OC(=O)C=Cc1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C20H18N4O3/c21-11-15-12-22-19(23-15)20(27)24-17-8-6-13(7-9-18(25)26)10-16(17)14-4-2-1-3-5-14/h4,6-10,12H,1-3,5H2,(H,22,23)(H,24,27)(H,25,26)/b9-7-
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Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM198845
PNG
(US9221797, 8)
Show SMILES OC(=O)CCc1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C20H20N4O3/c21-11-15-12-22-19(23-15)20(27)24-17-8-6-13(7-9-18(25)26)10-16(17)14-4-2-1-3-5-14/h4,6,8,10,12H,1-3,5,7,9H2,(H,22,23)(H,24,27)(H,25,26)
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n/an/a 5.90n/an/an/an/a7.5n/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM198840
PNG
(US9221797, 3)
Show SMILES CC(=O)NC(C)(C)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C22H25N5O2/c1-14(28)27-22(2,3)16-9-10-19(18(11-16)15-7-5-4-6-8-15)26-21(29)20-24-13-17(12-23)25-20/h7,9-11,13H,4-6,8H2,1-3H3,(H,24,25)(H,26,29)(H,27,28)
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n/an/a 6.10n/an/an/an/a7.5n/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM198850
PNG
(US9221797, 13)
Show SMILES CC(C)(C(O)=O)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C21H22N4O3/c1-21(2,20(27)28)14-8-9-17(16(10-14)13-6-4-3-5-7-13)25-19(26)18-23-12-15(11-22)24-18/h6,8-10,12H,3-5,7H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)
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n/an/a 8n/an/an/an/a7.5n/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM198841
PNG
(US9221797, 4)
Show SMILES CC(C)(NC(N)=O)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C21H24N6O2/c1-21(2,27-20(23)29)14-8-9-17(16(10-14)13-6-4-3-5-7-13)26-19(28)18-24-12-15(11-22)25-18/h6,8-10,12H,3-5,7H2,1-2H3,(H,24,25)(H,26,28)(H3,23,27,29)
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n/an/a 12.4n/an/an/an/a7.5n/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50443141
PNG
(CHEMBL3085983 | US9221797, 44)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1C1=CCCCC1)c1ncc([nH]1)C#N
Show InChI InChI=1S/C22H25N5O2/c23-13-18-14-24-21(25-18)22(28)26-20-7-6-16(15-27-8-10-29-11-9-27)12-19(20)17-4-2-1-3-5-17/h4,6-7,12,14H,1-3,5,8-11,15H2,(H,24,25)(H,26,28)
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n/an/a 20n/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of FMS in mouse BMDM cells


Bioorg Med Chem Lett 23: 6363-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.061
BindingDB Entry DOI: 10.7270/Q2MP54RH
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM119036
PNG
(US8674100, 49 | US9221797, 49)
Show SMILES CC1(C)CCC(=CC1)c1nc(CC(O)=O)ccc1NC(=O)c1ncc([nH]1)C#N
Show InChI InChI=1S/C20H21N5O3/c1-20(2)7-5-12(6-8-20)17-15(4-3-13(23-17)9-16(26)27)25-19(28)18-22-11-14(10-21)24-18/h3-5,11H,6-9H2,1-2H3,(H,22,24)(H,25,28)(H,26,27)
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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 US8674100 (2014)


BindingDB Entry DOI: 10.7270/Q23777CF
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM119036
PNG
(US8674100, 49 | US9221797, 49)
Show SMILES CC1(C)CCC(=CC1)c1nc(CC(O)=O)ccc1NC(=O)c1ncc([nH]1)C#N
Show InChI InChI=1S/C20H21N5O3/c1-20(2)7-5-12(6-8-20)17-15(4-3-13(23-17)9-16(26)27)25-19(28)18-22-11-14(10-21)24-18/h3-5,11H,6-9H2,1-2H3,(H,22,24)(H,25,28)(H,26,27)
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Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM198839
PNG
(US9221797, 2)
Show SMILES CC(=C)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C20H20N4O/c1-13(2)15-8-9-18(17(10-15)14-6-4-3-5-7-14)24-20(25)19-22-12-16(11-21)23-19/h6,8-10,12H,1,3-5,7H2,2H3,(H,22,23)(H,24,25)
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Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM119038
PNG
(US8674100, 51 | US9221797, 51)
Show SMILES CC1(C)CCC(=CC1)c1nc(CC(O)=O)ccc1NC(=O)c1cc(c[nH]1)C#N
Show InChI InChI=1S/C21H22N4O3/c1-21(2)7-5-14(6-8-21)19-16(4-3-15(24-19)10-18(26)27)25-20(28)17-9-13(11-22)12-23-17/h3-5,9,12,23H,6-8,10H2,1-2H3,(H,25,28)(H,26,27)
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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 US8674100 (2014)


BindingDB Entry DOI: 10.7270/Q23777CF
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM119038
PNG
(US8674100, 51 | US9221797, 51)
Show SMILES CC1(C)CCC(=CC1)c1nc(CC(O)=O)ccc1NC(=O)c1cc(c[nH]1)C#N
Show InChI InChI=1S/C21H22N4O3/c1-21(2)7-5-14(6-8-21)19-16(4-3-15(24-19)10-18(26)27)25-20(28)17-9-13(11-22)12-23-17/h3-5,9,12,23H,6-8,10H2,1-2H3,(H,25,28)(H,26,27)
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Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM198848
PNG
(US9221797, 11)
Show SMILES OCC(CO)c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C20H22N4O3/c21-9-16-10-22-19(23-16)20(27)24-18-7-6-14(15(11-25)12-26)8-17(18)13-4-2-1-3-5-13/h4,6-8,10,15,25-26H,1-3,5,11-12H2,(H,22,23)(H,24,27)
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n/an/a>60n/an/an/an/a7.5n/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (CSF1R) or (c-fms)


(Homo sapiens (Human))
BDBM198846
PNG
(US9221797, 9)
Show SMILES NC(=O)c1c[nH]c(n1)C(=O)Nc1ccc(CCC(O)=O)cc1C1=CCCCC1
Show InChI InChI=1S/C20H22N4O4/c21-18(27)16-11-22-19(23-16)20(28)24-15-8-6-12(7-9-17(25)26)10-14(15)13-4-2-1-3-5-13/h4,6,8,10-11H,1-3,5,7,9H2,(H2,21,27)(H,22,23)(H,24,28)(H,25,26)
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PC cid
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UniChem
n/an/a 79n/an/an/an/a7.5n/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9221797 (2015)


BindingDB Entry DOI: 10.7270/Q2W37V4H
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Ligand-Target Pair