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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50038489   
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))
BDBM50377072
PNG
(CHEMBL438533)
Show SMILES CC1CCN(CC1)c1cc(ccc1NC(=O)c1ccc(o1)C#N)C1CCNCC1
Show InChI InChI=1S/C23H28N4O2/c1-16-8-12-27(13-9-16)21-14-18(17-6-10-25-11-7-17)2-4-20(21)26-23(28)22-5-3-19(15-24)29-22/h2-5,14,16-17,25H,6-13H2,1H3,(H,26,28)
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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 FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377071
PNG
(CHEMBL402337)
Show SMILES CC1CCC(=CC1)c1cc(ccc1NC(=O)c1ncc([nH]1)C#N)C1CCNCC1
Show InChI InChI=1S/C23H27N5O/c1-15-2-4-17(5-3-15)20-12-18(16-8-10-25-11-9-16)6-7-21(20)28-23(29)22-26-14-19(13-24)27-22/h4,6-7,12,14-16,25H,2-3,5,8-11H2,1H3,(H,26,27)(H,28,29)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377060
PNG
(CHEMBL255443)
Show SMILES CC1CCN(CC1)c1cc(ccc1NC(=O)c1ccc(o1)C#N)C1=CCNCC1
Show InChI InChI=1S/C23H26N4O2/c1-16-8-12-27(13-9-16)21-14-18(17-6-10-25-11-7-17)2-4-20(21)26-23(28)22-5-3-19(15-24)29-22/h2-6,14,16,25H,7-13H2,1H3,(H,26,28)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM27917
PNG
(4-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylp...)
Show SMILES CC1CCN(CC1)c1cc(ccc1NC(=O)c1cc(c[nH]1)C#N)N1CCN(C)CC1
Show InChI InChI=1S/C23H30N6O/c1-17-5-7-29(8-6-17)22-14-19(28-11-9-27(2)10-12-28)3-4-20(22)26-23(30)21-13-18(15-24)16-25-21/h3-4,13-14,16-17,25H,5-12H2,1-2H3,(H,26,30)
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n/an/a 0.800n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377059
PNG
(CHEMBL257620)
Show SMILES CC1CCN(CC1)c1cc(ccc1NC(=O)c1ccc(o1)C#N)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H30N4O3/c1-17-7-11-29(12-8-17)23-15-20(19-9-13-28(14-10-19)18(2)30)3-5-22(23)27-25(31)24-6-4-21(16-26)32-24/h3-6,15,17,19H,7-14H2,1-2H3,(H,27,31)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50233707
PNG
(5-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(4-methylp...)
Show SMILES CC1CCN(CC1)c1cc(ccc1NC(=O)c1ccc(o1)C#N)N1CCN(C)CC1
Show InChI InChI=1S/C23H29N5O2/c1-17-7-9-28(10-8-17)21-15-18(27-13-11-26(2)12-14-27)3-5-20(21)25-23(29)22-6-4-19(16-24)30-22/h3-6,15,17H,7-14H2,1-2H3,(H,25,29)
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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 FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377058
PNG
(CHEMBL2158221 | CHEMBL257154 | US8697716, 14)
Show SMILES O=C(Nc1ccc(cc1C1=CCCCC1)C1CCNCC1)c1ncc([nH]1)C#N
Show InChI InChI=1S/C22H25N5O/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/h4,6-7,12,14-15,24H,1-3,5,8-11H2,(H,25,26)(H,27,28)
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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 FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM120076
PNG
(CHEMBL256712 | US8697716, 16)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H27N5O2/c1-16(30)29-11-9-17(10-12-29)19-7-8-22(21(13-19)18-5-3-2-4-6-18)28-24(31)23-26-15-20(14-25)27-23/h5,7-8,13,15,17H,2-4,6,9-12H2,1H3,(H,26,27)(H,28,31)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377063
PNG
(CHEMBL261699)
Show SMILES CC1CCN(CC1)c1cc(\C=C\C(O)=O)ccc1NC(=O)c1ccc(o1)C#N
Show InChI InChI=1S/C21H21N3O4/c1-14-8-10-24(11-9-14)18-12-15(3-7-20(25)26)2-5-17(18)23-21(27)19-6-4-16(13-22)28-19/h2-7,12,14H,8-11H2,1H3,(H,23,27)(H,25,26)/b7-3+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377061
PNG
(CHEMBL402908)
Show SMILES CC1CCN(CC1)c1cc(ccc1NC(=O)c1ccc(o1)C#N)C#CCN1CCOCC1
Show InChI InChI=1S/C25H28N4O3/c1-19-8-11-29(12-9-19)23-17-20(3-2-10-28-13-15-31-16-14-28)4-6-22(23)27-25(30)24-7-5-21(18-26)32-24/h4-7,17,19H,8-16H2,1H3,(H,27,30)
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n/an/a 5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377057
PNG
(CHEMBL256950)
Show SMILES O=C(Nc1ccc(cc1C1=CCCC1)C1CCNCC1)c1ncc([nH]1)C#N
Show InChI InChI=1S/C21H23N5O/c22-12-17-13-24-20(25-17)21(27)26-19-6-5-16(14-7-9-23-10-8-14)11-18(19)15-3-1-2-4-15/h3,5-6,11,13-14,23H,1-2,4,7-10H2,(H,24,25)(H,26,27)
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n/an/a 8n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377074
PNG
(CHEMBL258709)
Show SMILES CC1CCN(CC1)c1cc(ccc1NC(=O)c1ccc(o1)C#N)-c1ccncc1
Show InChI InChI=1S/C23H22N4O2/c1-16-8-12-27(13-9-16)21-14-18(17-6-10-25-11-7-17)2-4-20(21)26-23(28)22-5-3-19(15-24)29-22/h2-7,10-11,14,16H,8-9,12-13H2,1H3,(H,26,28)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377073
PNG
(CHEMBL255501)
Show SMILES CC1CCN(CC1)c1cc(ccc1NC(=O)c1ccc(o1)C#N)C#CCN(C)C
Show InChI InChI=1S/C23H26N4O2/c1-17-10-13-27(14-11-17)21-15-18(5-4-12-26(2)3)6-8-20(21)25-23(28)22-9-7-19(16-24)29-22/h6-9,15,17H,10-14H2,1-3H3,(H,25,28)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377062
PNG
(CHEMBL430214)
Show SMILES CC1CCN(CC1)c1cc(ccc1NC(=O)c1ccc(o1)C#N)C#CCN(C)S(C)(=O)=O
Show InChI InChI=1S/C23H26N4O4S/c1-17-10-13-27(14-11-17)21-15-18(5-4-12-26(2)32(3,29)30)6-8-20(21)25-23(28)22-9-7-19(16-24)31-22/h6-9,15,17H,10-14H2,1-3H3,(H,25,28)
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n/an/a 16n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377066
PNG
(CHEMBL265432 | US8697716, 11)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C23H26N4O2/c1-26-11-13-27(14-12-26)18-7-9-21(20(15-18)17-5-3-2-4-6-17)25-23(28)22-10-8-19(16-24)29-22/h5,7-10,15H,2-4,6,11-14H2,1H3,(H,25,28)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377064
PNG
(CHEMBL411471)
Show SMILES CC1CCN(CC1)c1cc(\C=C\C(=O)OC(C)(C)C)ccc1NC(=O)c1ccc(o1)C#N
Show InChI InChI=1S/C25H29N3O4/c1-17-11-13-28(14-12-17)21-15-18(6-10-23(29)32-25(2,3)4)5-8-20(21)27-24(30)22-9-7-19(16-26)31-22/h5-10,15,17H,11-14H2,1-4H3,(H,27,30)/b10-6+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377065
PNG
(CHEMBL408431)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)C#N)c(c1)C1=C(C)CCCC1
Show InChI InChI=1S/C24H28N4O2/c1-17-5-3-4-6-20(17)21-15-18(28-13-11-27(2)12-14-28)7-9-22(21)26-24(29)23-10-8-19(16-25)30-23/h7-10,15H,3-6,11-14H2,1-2H3,(H,26,29)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377067
PNG
(CHEMBL427775 | US8697716, 12)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)C#N)c(c1)C1=CCOCC1
Show InChI InChI=1S/C22H24N4O3/c1-25-8-10-26(11-9-25)17-2-4-20(19(14-17)16-6-12-28-13-7-16)24-22(27)21-5-3-18(15-23)29-21/h2-6,14H,7-13H2,1H3,(H,24,27)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM120079
PNG
(CHEMBL257153 | US8697716, 35)
Show SMILES O=C(Nc1ccc(cc1C1=CCS(=O)(=O)CC1)C1CCNCC1)c1ncc([nH]1)C#N
Show InChI InChI=1S/C21H23N5O3S/c22-12-17-13-24-20(25-17)21(27)26-19-2-1-16(14-3-7-23-8-4-14)11-18(19)15-5-9-30(28,29)10-6-15/h1-2,5,11,13-14,23H,3-4,6-10H2,(H,24,25)(H,26,27)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377054
PNG
(CHEMBL429855)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCS(=O)(=O)CC1
Show InChI InChI=1S/C23H25N5O4S/c1-15(29)28-8-4-16(5-9-28)18-2-3-21(27-23(30)22-25-14-19(13-24)26-22)20(12-18)17-6-10-33(31,32)11-7-17/h2-3,6,12,14,16H,4-5,7-11H2,1H3,(H,25,26)(H,27,30)
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n/an/a 60n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377070
PNG
(CHEMBL258238)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1CCCN=C1
Show InChI InChI=1S/C23H26N6O2/c1-15(30)29-9-6-16(7-10-29)17-4-5-21(20(11-17)18-3-2-8-25-13-18)28-23(31)22-26-14-19(12-24)27-22/h4-5,11,13-14,16,18H,2-3,6-10H2,1H3,(H,26,27)(H,28,31)
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n/an/a>150n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377068
PNG
(CHEMBL258461)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)C#N)c(c1)-c1sccc1C
Show InChI InChI=1S/C22H22N4O2S/c1-15-7-12-29-21(15)18-13-16(26-10-8-25(2)9-11-26)3-5-19(18)24-22(27)20-6-4-17(14-23)28-20/h3-7,12-13H,8-11H2,1-2H3,(H,24,27)
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n/an/a 470n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377076
PNG
(CHEMBL258474)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)C#N)c(c1)-c1ccccc1C
Show InChI InChI=1S/C24H24N4O2/c1-17-5-3-4-6-20(17)21-15-18(28-13-11-27(2)12-14-28)7-9-22(21)26-24(29)23-10-8-19(16-25)30-23/h3-10,15H,11-14H2,1-2H3,(H,26,29)
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n/an/a 630n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377069
PNG
(CHEMBL258680)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)C#N)c(c1)-c1ccccc1F
Show InChI InChI=1S/C23H21FN4O2/c1-27-10-12-28(13-11-27)16-6-8-21(19(14-16)18-4-2-3-5-20(18)24)26-23(29)22-9-7-17(15-25)30-22/h2-9,14H,10-13H2,1H3,(H,26,29)
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n/an/a 890n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50377075
PNG
(CHEMBL265433)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)C#N)c(c1)-c1ccsc1C
Show InChI InChI=1S/C22H22N4O2S/c1-15-18(7-12-29-15)19-13-16(26-10-8-25(2)9-11-26)3-5-20(19)24-22(27)21-6-4-17(14-23)28-21/h3-7,12-13H,8-11H2,1-2H3,(H,24,27)
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n/an/a 940n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair