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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50039197   
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


(Homo sapiens (Human))
BDBM50321368
PNG
(4-cyano-N-(4-(1,3-dimethyl-2-oxohexahydropyrimidin...)
Show SMILES CN1CC(CN(C)C1=O)c1ccc(NC(=O)c2ncc([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 0.300n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321373
PNG
(4-cyano-N-(4-(2-(cyanoimino)-1,3-dimethylhexahydro...)
Show SMILES CN1CC(CN(C)C1=NC#N)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCC(C)(C)CC1 |t:30|
Show InChI InChI=1S/C26H30N8O/c1-26(2)9-7-17(8-10-26)21-11-18(19-14-33(3)25(30-16-28)34(4)15-19)5-6-22(21)32-24(35)23-29-13-20(12-27)31-23/h5-7,11,13,19H,8-10,14-15H2,1-4H3,(H,29,31)(H,32,35)
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n/an/a 0.400n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321367
PNG
(4-cyano-N-(2-cyclohexenyl-4-(1,3-dimethyl-2-oxohex...)
Show SMILES CN1CC(CN(C)C1=O)c1ccc(NC(=O)c2ncc([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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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321365
PNG
(4-cyano-N-(2-cyclohexenyl-4-(1-methyl-2,6-dioxopip...)
Show SMILES CN1C(=O)CC(CC1=O)c1ccc(NC(=O)c2ncc([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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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321364
PNG
(4-cyano-N-(2-(4,4-dimethylcyclohex-1-enyl)-4-(2,6-...)
Show SMILES CC1(C)CCC(=CC1)c1cc(ccc1NC(=O)c1ncc([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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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321369
PNG
(4-cyano-N-(2-cycloheptenyl-4-(1,3-dimethyl-2-oxohe...)
Show SMILES CN1CC(CN(C)C1=O)c1ccc(NC(=O)c2ncc([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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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321363
PNG
(4-cyano-N-(2-cyclohexenyl-4-(2,6-dioxopiperidin-4-...)
Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1CC(=O)NC(=O)C1)c1ncc([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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n/an/a 1n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321354
PNG
(3-(4-(4-cyano-1H-imidazole-2-carboxamido)-3-cycloh...)
Show SMILES [O-][n+]1cccc(c1)-c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:26|
Show InChI InChI=1S/C22H19N5O2/c23-12-18-13-24-21(25-18)22(28)26-20-9-8-16(17-7-4-10-27(29)14-17)11-19(20)15-5-2-1-3-6-15/h4-5,7-11,13-14H,1-3,6H2,(H,24,25)(H,26,28)
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n/an/a 1.40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321352
PNG
(4-(4-(4-cyano-1H-imidazole-2-carboxamido)-3-cycloh...)
Show SMILES [O-][n+]1ccc(cc1)-c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:26|
Show InChI InChI=1S/C22H19N5O2/c23-13-18-14-24-21(25-18)22(28)26-20-7-6-17(15-8-10-27(29)11-9-15)12-19(20)16-4-2-1-3-5-16/h4,6-12,14H,1-3,5H2,(H,24,25)(H,26,28)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321371
PNG
(4-Cyano-1H-imidazole-2-carboxylicacid[2-cyclohex-1...)
Show SMILES CN1CC(CN(C)S1(=O)=O)c1ccc(NC(=O)c2ncc([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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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321374
PNG
(4-cyano-N-(4-(1,3-dimethyl-2-(methylsulfonylimino)...)
Show SMILES CN1CC(CN(C)C1=NS(C)(=O)=O)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCC(C)(C)CC1 |t:32,(-4.16,-42.5,;-4.16,-40.96,;-2.81,-40.2,;-2.82,-38.66,;-4.15,-37.88,;-5.48,-38.65,;-6.81,-37.87,;-5.49,-40.19,;-6.82,-40.95,;-8.15,-40.17,;-8.15,-38.63,;-9.65,-39.76,;-8.93,-41.5,;-1.49,-37.89,;-.16,-38.66,;1.18,-37.89,;1.18,-36.34,;2.51,-35.57,;3.84,-36.33,;3.85,-37.87,;5.17,-35.56,;6.58,-36.19,;7.61,-35.04,;6.83,-33.71,;5.32,-34.04,;7.44,-32.3,;8.06,-30.89,;-.16,-35.58,;-1.49,-36.35,;-.16,-34.05,;1.17,-33.28,;1.17,-31.74,;-.16,-30.97,;-.94,-29.63,;.6,-29.63,;-1.49,-31.74,;-1.49,-33.29,)|
Show InChI InChI=1S/C26H33N7O3S/c1-26(2)10-8-17(9-11-26)21-12-18(19-15-32(3)25(33(4)16-19)31-37(5,35)36)6-7-22(21)30-24(34)23-28-14-20(13-27)29-23/h6-8,12,14,19H,9-11,15-16H2,1-5H3,(H,28,29)(H,30,34)/b31-25-
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321355
PNG
(4-cyano-N-(2-cyclohexenyl-4-(pyridin-3-yl)phenyl)-...)
Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)-c1cccnc1)c1ncc([nH]1)C#N |t:10|
Show InChI InChI=1S/C22H19N5O/c23-12-18-14-25-21(26-18)22(28)27-20-9-8-16(17-7-4-10-24-13-17)11-19(20)15-5-2-1-3-6-15/h4-5,7-11,13-14H,1-3,6H2,(H,25,26)(H,27,28)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321366
PNG
(4-cyano-N-(2-cyclohexenyl-4-(2-oxohexahydropyrimid...)
Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1CNC(=O)NC1)c1ncc([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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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321372
PNG
(4-cyano-N-(4-(2-(cyanoimino)hexahydropyrimidin-5-y...)
Show SMILES CC1(C)CCC(=CC1)c1cc(ccc1NC(=O)c1ncc([nH]1)C#N)C1CNC(NC1)=NC#N |c:5,(11.18,-14.71,;11.96,-16.05,;12.71,-14.71,;10.62,-16.82,;10.63,-18.36,;11.95,-19.12,;13.29,-18.35,;13.29,-16.82,;11.95,-20.65,;10.63,-21.42,;10.62,-22.96,;11.96,-23.73,;13.29,-22.96,;13.29,-21.42,;14.6,-20.61,;15.94,-21.38,;15.94,-22.91,;17.26,-20.6,;18.67,-21.23,;19.7,-20.08,;18.92,-18.75,;17.42,-19.08,;19.53,-17.35,;20.15,-15.93,;9.3,-23.73,;7.97,-22.95,;6.62,-23.7,;6.63,-25.24,;7.96,-26.02,;9.3,-25.26,;5.3,-26.01,;3.96,-25.24,;2.63,-24.47,)|
Show InChI InChI=1S/C24H26N8O/c1-24(2)7-5-15(6-8-24)19-9-16(17-11-28-23(29-12-17)30-14-26)3-4-20(19)32-22(33)21-27-13-18(10-25)31-21/h3-5,9,13,17H,6-8,11-12H2,1-2H3,(H,27,31)(H,32,33)(H2,28,29,30)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321370
PNG
(4-Cyano-1H-imidazole-2-carboxylicacid[2-cyclohex-1...)
Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1CNS(=O)(=O)NC1)c1ncc([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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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50321353
PNG
(4-cyano-N-(2-cyclohexenyl-4-(pyridin-4-yl)phenyl)-...)
Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)-c1ccncc1)c1ncc([nH]1)C#N |t:10|
Show InChI InChI=1S/C22H19N5O/c23-13-18-14-25-21(26-18)22(28)27-20-7-6-17(15-8-10-24-11-9-15)12-19(20)16-4-2-1-3-5-16/h4,6-12,14H,1-3,5H2,(H,25,26)(H,27,28)
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n/an/a 3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321353
PNG
(4-cyano-N-(2-cyclohexenyl-4-(pyridin-4-yl)phenyl)-...)
Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)-c1ccncc1)c1ncc([nH]1)C#N |t:10|
Show InChI InChI=1S/C22H19N5O/c23-13-18-14-25-21(26-18)22(28)27-20-7-6-17(15-8-10-24-11-9-15)12-19(20)16-4-2-1-3-5-16/h4,6-12,14H,1-3,5H2,(H,25,26)(H,27,28)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321358
PNG
(CHEMBL1172313 | N-(4-(6-aminopyridin-3-yl)-2-cyclo...)
Show SMILES Nc1ccc(cn1)-c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:26|
Show InChI InChI=1S/C22H20N6O/c23-11-17-13-26-21(27-17)22(29)28-19-8-6-15(16-7-9-20(24)25-12-16)10-18(19)14-4-2-1-3-5-14/h4,6-10,12-13H,1-3,5H2,(H2,24,25)(H,26,27)(H,28,29)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321356
PNG
(2-(4-(4-cyano-1H-imidazole-2-carboxamido)-3-cycloh...)
Show SMILES [O-][n+]1ccccc1-c1ccc(NC(=O)c2nc(c[nH]2)C#N)c(c1)C1=CCCCC1 |t:26|
Show InChI InChI=1S/C22H19N5O2/c23-13-17-14-24-21(25-17)22(28)26-19-10-9-16(20-8-4-5-11-27(20)29)12-18(19)15-6-2-1-3-7-15/h4-6,8-12,14H,1-3,7H2,(H,24,25)(H,26,28)
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n/an/a 7.10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321357
PNG
(4-cyano-N-(2-cyclohexenyl-4-(pyridin-2-yl)phenyl)-...)
Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)-c1ccccn1)c1ncc([nH]1)C#N |t:10|
Show InChI InChI=1S/C22H19N5O/c23-13-17-14-25-21(26-17)22(28)27-20-10-9-16(19-8-4-5-11-24-19)12-18(20)15-6-2-1-3-7-15/h4-6,8-12,14H,1-3,7H2,(H,25,26)(H,27,28)
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n/an/a 11n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321360
PNG
(4-cyano-N-(3-cyclohexenyl-4'-(N,N-dimethylsulfamoy...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
Show InChI InChI=1S/C25H25N5O3S/c1-30(2)34(32,33)21-11-8-17(9-12-21)19-10-13-23(22(14-19)18-6-4-3-5-7-18)29-25(31)24-27-16-20(15-26)28-24/h6,8-14,16H,3-5,7H2,1-2H3,(H,27,28)(H,29,31)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321361
PNG
(CHEMBL1172530 | N-(4'-amino-3-cyclohexenylbiphenyl...)
Show SMILES Nc1ccc(cc1)-c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:26|
Show InChI InChI=1S/C23H21N5O/c24-13-19-14-26-22(27-19)23(29)28-21-11-8-17(15-6-9-18(25)10-7-15)12-20(21)16-4-2-1-3-5-16/h4,6-12,14H,1-3,5,25H2,(H,26,27)(H,28,29)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321359
PNG
(4-cyano-N-(2-(4,4-dimethylcyclohex-1-enyl)-4-(6-me...)
Show SMILES COc1ccc(cn1)-c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCC(C)(C)CC1 |t:27|
Show InChI InChI=1S/C25H25N5O2/c1-25(2)10-8-16(9-11-25)20-12-17(18-5-7-22(32-3)27-14-18)4-6-21(20)30-24(31)23-28-15-19(13-26)29-23/h4-8,12,14-15H,9-11H2,1-3H3,(H,28,29)(H,30,31)
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n/an/a 41n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50321362
PNG
(4-cyano-N-(3-cyclohexenylbiphenyl-4-yl)-1H-imidazo...)
Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)-c1ccccc1)c1ncc([nH]1)C#N |t:10|
Show InChI InChI=1S/C23H20N4O/c24-14-19-15-25-22(26-19)23(28)27-21-12-11-18(16-7-3-1-4-8-16)13-20(21)17-9-5-2-6-10-17/h1,3-4,7-9,11-13,15H,2,5-6,10H2,(H,25,26)(H,27,28)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human FMS by fluorescence polarization


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50321353
PNG
(4-cyano-N-(2-cyclohexenyl-4-(pyridin-4-yl)phenyl)-...)
Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)-c1ccncc1)c1ncc([nH]1)C#N |t:10|
Show InChI InChI=1S/C22H19N5O/c23-13-18-14-25-21(26-18)22(28)27-20-7-6-17(15-8-10-24-11-9-15)12-19(20)16-4-2-1-3-5-16/h4,6-12,14H,1-3,5H2,(H,25,26)(H,27,28)
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n/an/a 87n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 3925-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.013
BindingDB Entry DOI: 10.7270/Q22Z16HG
More data for this
Ligand-Target Pair