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Compile Data Set for Download or QSAR

Found 189 hits with Last Name = 'scott' and Initial = 'da'   
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
PTGFR


(BOVINE)
BDBM50150906
PNG
((E)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E)-3-hydrox...)
Show SMILES CC(C)OC(=O)CCC\C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(O)COc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3+,13-12+/t19?,21-,22-,23+,24-/m1/s1
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52n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150899
PNG
((E)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((R)-3-hydrox...)
Show SMILES CC(C)OC(=O)CCC\C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1
Show InChI InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3+/t21-,22+,23+,24-,25+/m0/s1
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92n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r|
Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
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129n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150898
PNG
((Z)-8-{(2R,3S,4R)-2-[(E)-(R)-4-(3-Chloro-phenoxy)-...)
Show SMILES O[C@@H](COc1cccc(Cl)c1)\C=C\[C@H]1OC[C@H](O)[C@@H]1CCC\C=C/CCC(O)=O
Show InChI InChI=1S/C22H29ClO6/c23-16-7-6-8-18(13-16)28-14-17(24)11-12-21-19(20(25)15-29-21)9-4-2-1-3-5-10-22(26)27/h1,3,6-8,11-13,17,19-21,24-25H,2,4-5,9-10,14-15H2,(H,26,27)/b3-1-,12-11+/t17-,19+,20+,21-/m1/s1
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147n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150904
PNG
((Z)-8-[(2R,3S,4R)-4-Hydroxy-2-((E)-(R)-3-hydroxy-4...)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1OC[C@H](O)[C@@H]1CCC\C=C/CCC(O)=O
Show InChI InChI=1S/C22H30O6/c23-17(15-27-18-9-5-4-6-10-18)13-14-21-19(20(24)16-28-21)11-7-2-1-3-8-12-22(25)26/h1,3-6,9-10,13-14,17,19-21,23-24H,2,7-8,11-12,15-16H2,(H,25,26)/b3-1-,14-13+/t17-,19+,20+,21-/m1/s1
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330n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150892
PNG
((Z)-8-{(2R,3S,4R)-4-Hydroxy-2-[(E)-(R)-3-hydroxy-4...)
Show SMILES O[C@@H](COc1cccc(c1)C(F)(F)F)\C=C\[C@H]1OC[C@H](O)[C@@H]1CCC\C=C/CCC(O)=O
Show InChI InChI=1S/C23H29F3O6/c24-23(25,26)16-7-6-8-18(13-16)31-14-17(27)11-12-21-19(20(28)15-32-21)9-4-2-1-3-5-10-22(29)30/h1,3,6-8,11-13,17,19-21,27-28H,2,4-5,9-10,14-15H2,(H,29,30)/b3-1-,12-11+/t17-,19+,20+,21-/m1/s1
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350n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150902
PNG
((Z)-8-[(2R,3S,4R)-4-Hydroxy-2-((E)-(R)-3-hydroxy-4...)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C22H30O6/c23-17(15-27-18-9-5-4-6-10-18)13-14-21-19(20(24)16-28-21)11-7-2-1-3-8-12-22(25)26/h2,4-7,9-10,13-14,17,19-21,23-24H,1,3,8,11-12,15-16H2,(H,25,26)/b7-2-,14-13+/t17-,19+,20+,21-/m1/s1
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640n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150896
PNG
((Z)-8-{(2R,3S,4R)-2-[(E)-(S)-4-(3-Chloro-phenoxy)-...)
Show SMILES O[C@H](COc1cccc(Cl)c1)\C=C\[C@H]1OC[C@H](O)[C@@H]1CCC\C=C/CCC(O)=O
Show InChI InChI=1S/C22H29ClO6/c23-16-7-6-8-18(13-16)28-14-17(24)11-12-21-19(20(25)15-29-21)9-4-2-1-3-5-10-22(26)27/h1,3,6-8,11-13,17,19-21,24-25H,2,4-5,9-10,14-15H2,(H,26,27)/b3-1-,12-11+/t17-,19-,20-,21+/m0/s1
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820n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150900
PNG
((Z)-8-{(2R,3S,4R)-2-[(E)-(R)-4-(3-Chloro-phenoxy)-...)
Show SMILES O[C@@H](COc1cccc(Cl)c1)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C22H29ClO6/c23-16-7-6-8-18(13-16)28-14-17(24)11-12-21-19(20(25)15-29-21)9-4-2-1-3-5-10-22(26)27/h2,4,6-8,11-13,17,19-21,24-25H,1,3,5,9-10,14-15H2,(H,26,27)/b4-2-,12-11+/t17-,19+,20+,21-/m1/s1
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890n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150891
PNG
((Z)-8-[(R)-4-Hydroxy-2-((1R,2S,4S)-3-hydroxy-4-phe...)
Show SMILES O[C@H](COc1ccccc1)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C22H30O6/c23-17(15-27-18-9-5-4-6-10-18)13-14-21-19(20(24)16-28-21)11-7-2-1-3-8-12-22(25)26/h2,4-7,9-10,13-14,17,19-21,23-24H,1,3,8,11-12,15-16H2,(H,25,26)/b7-2-,14-13+/t17-,19-,20-,21+/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150894
PNG
((Z)-8-{(2R,3S,4R)-4-Hydroxy-2-[(E)-(R)-3-hydroxy-4...)
Show SMILES O[C@@H](COc1cccc(c1)C(F)(F)F)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C23H29F3O6/c24-23(25,26)16-7-6-8-18(13-16)31-14-17(27)11-12-21-19(20(28)15-32-21)9-4-2-1-3-5-10-22(29)30/h2,4,6-8,11-13,17,19-21,27-28H,1,3,5,9-10,14-15H2,(H,29,30)/b4-2-,12-11+/t17-,19+,20+,21-/m1/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150897
PNG
((Z)-8-[(2R,3S,4R)-4-Hydroxy-2-((E)-(S)-3-hydroxy-4...)
Show SMILES O[C@H](COc1ccccc1)\C=C\[C@H]1OC[C@H](O)[C@@H]1CCC\C=C/CCC(O)=O
Show InChI InChI=1S/C22H30O6/c23-17(15-27-18-9-5-4-6-10-18)13-14-21-19(20(24)16-28-21)11-7-2-1-3-8-12-22(25)26/h1,3-6,9-10,13-14,17,19-21,23-24H,2,7-8,11-12,15-16H2,(H,25,26)/b3-1-,14-13+/t17-,19-,20-,21+/m0/s1
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5.10E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150903
PNG
((Z)-7-[(2R,3S,4R)-4-Hydroxy-2-((E)-(S)-3-hydroxy-o...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C19H32O5/c1-2-3-6-9-15(20)12-13-18-16(17(21)14-24-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1
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6.70E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150901
PNG
((Z)-8-{(2R,3S,4R)-2-[(E)-(S)-4-(3-Chloro-phenoxy)-...)
Show SMILES O[C@H](COc1cccc(Cl)c1)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C22H29ClO6/c23-16-7-6-8-18(13-16)28-14-17(24)11-12-21-19(20(25)15-29-21)9-4-2-1-3-5-10-22(26)27/h2,4,6-8,11-13,17,19-21,24-25H,1,3,5,9-10,14-15H2,(H,26,27)/b4-2-,12-11+/t17-,19-,20-,21+/m0/s1
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7.30E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150893
PNG
((Z)-8-{(2R,3S,4R)-4-Hydroxy-2-[(E)-(S)-3-hydroxy-4...)
Show SMILES O[C@H](COc1cccc(c1)C(F)(F)F)\C=C\[C@H]1OC[C@H](O)[C@@H]1CCC\C=C/CCC(O)=O
Show InChI InChI=1S/C23H29F3O6/c24-23(25,26)16-7-6-8-18(13-16)31-14-17(27)11-12-21-19(20(28)15-32-21)9-4-2-1-3-5-10-22(29)30/h1,3,6-8,11-13,17,19-21,27-28H,2,4-5,9-10,14-15H2,(H,29,30)/b3-1-,12-11+/t17-,19-,20-,21+/m0/s1
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9.90E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150895
PNG
((Z)-7-[(2R,3S,4R)-4-Hydroxy-2-((E)-(R)-3-hydroxy-o...)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C19H32O5/c1-2-3-6-9-15(20)12-13-18-16(17(21)14-24-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150905
PNG
((Z)-8-{(2R,3S,4R)-4-Hydroxy-2-[(E)-(S)-3-hydroxy-4...)
Show SMILES O[C@H](COc1cccc(c1)C(F)(F)F)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C23H29F3O6/c24-23(25,26)16-7-6-8-18(13-16)31-14-17(27)11-12-21-19(20(28)15-32-21)9-4-2-1-3-5-10-22(29)30/h2,4,6-8,11-13,17,19-21,27-28H,1,3,5,9-10,14-15H2,(H,29,30)/b4-2-,12-11+/t17-,19-,20-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50343726
PNG
((S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human JAK2


Bioorg Med Chem Lett 21: 2958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255518
PNG
(4-(3,4-dichlorophenylamino)-7-methoxy-6-(4-methylp...)
Show SMILES COc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)c(Cl)c3)c2cc1N1CCN(C)CC1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-28-5-7-29(8-6-28)19-10-14-18(11-20(19)31-2)26-12-15(22(25)30)21(14)27-13-3-4-16(23)17(24)9-13/h3-4,9-12H,5-8H2,1-2H3,(H2,25,30)(H,26,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 701-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.044
BindingDB Entry DOI: 10.7270/Q2JW8DSV
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244781
PNG
(2-Chloro-N-thiazol-5-yl-5-(3-trifluoromethyl-benzo...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cncs1
Show InChI InChI=1S/C18H11ClF3N3O2S/c19-14-5-4-12(7-13(14)17(27)25-15-8-23-9-28-15)24-16(26)10-2-1-3-11(6-10)18(20,21)22/h1-9H,(H,24,26)(H,25,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244726
PNG
(2-chloro-5-[(3,4-dichlorobenzoyl)amino]-N-pyridin-...)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H12Cl3N3O2/c20-15-6-4-12(24-18(26)11-3-5-16(21)17(22)8-11)9-14(15)19(27)25-13-2-1-7-23-10-13/h1-10H,(H,24,26)(H,25,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244783
PNG
(2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-1,3-thia...)
Show SMILES Cc1cc(C)cc(c1)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cncs1
Show InChI InChI=1S/C19H16ClN3O2S/c1-11-5-12(2)7-13(6-11)18(24)22-14-3-4-16(20)15(8-14)19(25)23-17-9-21-10-26-17/h3-10H,1-2H3,(H,22,24)(H,23,25)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255594
PNG
(4-(2,3-dichlorophenylamino)-7-fluoro-6-(4-methylpi...)
Show SMILES CN1CCN(CC1)c1cc2c(Nc3cccc(Cl)c3Cl)c(cnc2cc1F)C(N)=O
Show InChI InChI=1S/C21H20Cl2FN5O/c1-28-5-7-29(8-6-28)18-9-12-17(10-15(18)24)26-11-13(21(25)30)20(12)27-16-4-2-3-14(22)19(16)23/h2-4,9-11H,5-8H2,1H3,(H2,25,30)(H,26,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 701-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.044
BindingDB Entry DOI: 10.7270/Q2JW8DSV
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255517
PNG
(4-(2,4-dichlorophenylamino)-7-methoxy-6-(4-methylp...)
Show SMILES COc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)cc3Cl)c2cc1N1CCN(C)CC1
Show InChI InChI=1S/C22H23Cl2N5O2/c1-28-5-7-29(8-6-28)19-10-14-18(11-20(19)31-2)26-12-15(22(25)30)21(14)27-17-4-3-13(23)9-16(17)24/h3-4,9-12H,5-8H2,1-2H3,(H2,25,30)(H,26,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 701-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.044
BindingDB Entry DOI: 10.7270/Q2JW8DSV
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244725
PNG
(2-chloro-5-[(3,5-dichlorobenzoyl)amino]-N-pyridin-...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H12Cl3N3O2/c20-12-6-11(7-13(21)8-12)18(26)24-14-3-4-17(22)16(9-14)19(27)25-15-2-1-5-23-10-15/h1-10H,(H,24,26)(H,25,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50343725
PNG
((S)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H16F2N6/c1-10-7-16(26-25-10)23-18-15(20)8-13(9-21)17(24-18)22-11(2)12-3-5-14(19)6-4-12/h3-8,11H,1-2H3,(H3,22,23,24,25,26)/t11-/m0/s1
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 after 60 min


Bioorg Med Chem Lett 21: 2958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50343726
PNG
((S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 after 60 min


Bioorg Med Chem Lett 21: 2958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50343727
PNG
((S)-5-chloro-2-(1-(5-fluoropyridin-2-yl)ethylamino...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(Cl)cc1C#N)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C17H15ClFN7/c1-9-5-15(26-25-9)23-17-13(18)6-11(7-20)16(24-17)22-10(2)14-4-3-12(19)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 after 60 min


Bioorg Med Chem Lett 21: 2958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255695
PNG
(4-(2,3-dichlorophenylamino)-7-(2-(dimethylamino)et...)
Show SMILES COc1cc2c(Nc3cccc(Cl)c3Cl)c(cnc2cc1NCCN(C)C)C(N)=O
Show InChI InChI=1S/C21H23Cl2N5O2/c1-28(2)8-7-25-17-10-16-12(9-18(17)30-3)20(13(11-26-16)21(24)29)27-15-6-4-5-14(22)19(15)23/h4-6,9-11,25H,7-8H2,1-3H3,(H2,24,29)(H,26,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CSF1R catalytic domain (unknown origin) expressed in baculovirus by HTRF assay


Bioorg Med Chem Lett 19: 697-700 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.046
BindingDB Entry DOI: 10.7270/Q26M36P8
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50343726
PNG
((S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human TRKA


Bioorg Med Chem Lett 21: 2958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255697
PNG
(4-(2,3-dichlorophenylamino)-6-(2-(dimethylamino)et...)
Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1NCCN(C)C
Show InChI InChI=1S/C22H25Cl2N5O2/c1-4-31-19-11-17-13(10-18(19)26-8-9-29(2)3)21(14(12-27-17)22(25)30)28-16-7-5-6-15(23)20(16)24/h5-7,10-12,26H,4,8-9H2,1-3H3,(H2,25,30)(H,27,28)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CSF1R catalytic domain (unknown origin) expressed in baculovirus by HTRF assay


Bioorg Med Chem Lett 19: 697-700 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.046
BindingDB Entry DOI: 10.7270/Q26M36P8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50343723
PNG
((S)-6-(5-cyclopropyl-1H-pyrazol-3-ylamino)-5-fluor...)
Show SMILES C[C@H](Nc1nc(Nc2cc(n[nH]2)C2CC2)c(F)cc1C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H18F2N6/c1-11(12-4-6-15(21)7-5-12)24-19-14(10-23)8-16(22)20(26-19)25-18-9-17(27-28-18)13-2-3-13/h4-9,11,13H,2-3H2,1H3,(H3,24,25,26,27,28)/t11-/m0/s1
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 after 60 min


Bioorg Med Chem Lett 21: 2958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244844
PNG
(5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methy...)
Show SMILES Cc1ncc(NC(=O)c2cc(NC(=O)c3cc(C)cc(C)c3)ccc2C)s1
Show InChI InChI=1S/C21H21N3O2S/c1-12-7-13(2)9-16(8-12)20(25)23-17-6-5-14(3)18(10-17)21(26)24-19-11-22-15(4)27-19/h5-11H,1-4H3,(H,23,25)(H,24,26)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244843
PNG
(2-Chloro-5-(3-chloro-benzoylamino)-N-(2-methyl-thi...)
Show SMILES Cc1ncc(NC(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2Cl)s1
Show InChI InChI=1S/C18H13Cl2N3O2S/c1-10-21-9-16(26-10)23-18(25)14-8-13(5-6-15(14)20)22-17(24)11-3-2-4-12(19)7-11/h2-9H,1H3,(H,22,24)(H,23,25)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244782
PNG
(2-Chloro-5-(3-chloro-benzoylamino)-N-thiazol-5-yl-...)
Show SMILES Clc1cccc(c1)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cncs1
Show InChI InChI=1S/C17H11Cl2N3O2S/c18-11-3-1-2-10(6-11)16(23)21-12-4-5-14(19)13(7-12)17(24)22-15-8-20-9-25-15/h1-9H,(H,21,23)(H,22,24)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
BindingDB Entry DOI: 10.7270/Q2222TMP
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50256750
PNG
(CHEMBL475817 | N-(6-amino-5-chloropyridin-3-yl)-2-...)
Show SMILES Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 1026-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.10.053
BindingDB Entry DOI: 10.7270/Q2222TMP
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244724
PNG
(2-chloro-5-[(3,4-dimethylbenzoyl)amino]-N-pyridin-...)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1ccc(Cl)c(c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C21H18ClN3O2/c1-13-5-6-15(10-14(13)2)20(26)24-16-7-8-19(22)18(11-16)21(27)25-17-4-3-9-23-12-17/h3-12H,1-2H3,(H,24,26)(H,25,27)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255375
PNG
(4-(2,3-dichlorophenylamino)-6,7-dimethoxyquinoline...)
Show SMILES COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1OC
Show InChI InChI=1S/C18H15Cl2N3O3/c1-25-14-6-9-13(7-15(14)26-2)22-8-10(18(21)24)17(9)23-12-5-3-4-11(19)16(12)20/h3-8H,1-2H3,(H2,21,24)(H,22,23)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CSF1R catalytic domain (unknown origin) expressed in baculovirus by HTRF assay


Bioorg Med Chem Lett 19: 697-700 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.046
BindingDB Entry DOI: 10.7270/Q26M36P8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255811
PNG
(4-(2,4-difluorophenylamino)-7-ethoxy-6-(4-methylpi...)
Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1
Show InChI InChI=1S/C23H25F2N5O2/c1-3-32-21-12-19-15(11-20(21)30-8-6-29(2)7-9-30)22(16(13-27-19)23(26)31)28-18-5-4-14(24)10-17(18)25/h4-5,10-13H,3,6-9H2,1-2H3,(H2,26,31)(H,27,28)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 701-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.044
BindingDB Entry DOI: 10.7270/Q2JW8DSV
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255698
PNG
(4-(2,3-dichlorophenylamino)-7-ethoxy-6-(2-(piperid...)
Show SMILES CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1NCCN1CCCCC1
Show InChI InChI=1S/C25H29Cl2N5O2/c1-2-34-22-14-20-16(13-21(22)29-9-12-32-10-4-3-5-11-32)24(17(15-30-20)25(28)33)31-19-8-6-7-18(26)23(19)27/h6-8,13-15,29H,2-5,9-12H2,1H3,(H2,28,33)(H,30,31)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CSF1R catalytic domain (unknown origin) expressed in baculovirus by HTRF assay


Bioorg Med Chem Lett 19: 697-700 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.046
BindingDB Entry DOI: 10.7270/Q26M36P8
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24705
PNG
(4-aminopyrazolylpyrimidine analogue, 10k | 5-bromo...)
Show SMILES C[C@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H18BrFN6/c1-10(11-4-6-13(20)7-5-11)22-18-21-9-14(19)17(24-18)23-16-8-15(25-26-16)12-2-3-12/h4-10,12H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t10-/m0/s1
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n/an/a 6n/an/an/an/a7.422



AstraZeneca



Assay Description
TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substra...


J Med Chem 51: 4672-84 (2008)


Article DOI: 10.1021/jm800343j
BindingDB Entry DOI: 10.7270/Q2RN365V
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255520
PNG
(4-(2,4-difluorophenylamino)-7-methoxy-6-(4-methylp...)
Show SMILES COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1
Show InChI InChI=1S/C22H23F2N5O2/c1-28-5-7-29(8-6-28)19-10-14-18(11-20(19)31-2)26-12-15(22(25)30)21(14)27-17-4-3-13(23)9-16(17)24/h3-4,9-12H,5-8H2,1-2H3,(H2,25,30)(H,26,27)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 19: 701-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.044
BindingDB Entry DOI: 10.7270/Q2JW8DSV
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244845
PNG
(2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methy...)
Show SMILES Cc1ncc(NC(=O)c2cc(NC(=O)c3cc(C)cc(C)c3)ccc2Cl)s1
Show InChI InChI=1S/C20H18ClN3O2S/c1-11-6-12(2)8-14(7-11)19(25)23-15-4-5-17(21)16(9-15)20(26)24-18-10-22-13(3)27-18/h4-10H,1-3H3,(H,23,25)(H,24,26)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244780
PNG
(5-(3-Chloro-benzoylamino)-2-methyl-N-(2-methyl-thi...)
Show SMILES Cc1ncc(NC(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2C)s1
Show InChI InChI=1S/C19H16ClN3O2S/c1-11-6-7-15(22-18(24)13-4-3-5-14(20)8-13)9-16(11)19(25)23-17-10-21-12(2)26-17/h3-10H,1-2H3,(H,22,24)(H,23,25)
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244846
PNG
(2-chloro-5-{[3-fluoro-5-(trifluoromethyl)benzoyl]a...)
Show SMILES Cc1ncc(NC(=O)c2cc(NC(=O)c3cc(F)cc(c3)C(F)(F)F)ccc2Cl)s1
Show InChI InChI=1S/C19H12ClF4N3O2S/c1-9-25-8-16(30-9)27-18(29)14-7-13(2-3-15(14)20)26-17(28)10-4-11(19(22,23)24)6-12(21)5-10/h2-8H,1H3,(H,26,28)(H,27,29)
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50343726
PNG
((S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK3 after 60 min


Bioorg Med Chem Lett 21: 2958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50244842
PNG
(2-Chloro-N-(2-methyl-thiazol-5-yl)-5-(3-trifluorom...)
Show SMILES Cc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)s1
Show InChI InChI=1S/C19H13ClF3N3O2S/c1-10-24-9-16(29-10)26-18(28)14-8-13(5-6-15(14)20)25-17(27)11-3-2-4-12(7-11)19(21,22)23/h2-9H,1H3,(H,25,27)(H,26,28)
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


Bioorg Med Chem Lett 18: 4794-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.093
BindingDB Entry DOI: 10.7270/Q2028RCC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255746
PNG
(4-(2,4-difluorophenylamino)-7-methoxy-6-(2-morphol...)
Show SMILES COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1NCCN1CCOCC1
Show InChI InChI=1S/C23H25F2N5O3/c1-32-21-12-19-15(11-20(21)27-4-5-30-6-8-33-9-7-30)22(16(13-28-19)23(26)31)29-18-3-2-14(24)10-17(18)25/h2-3,10-13,27H,4-9H2,1H3,(H2,26,31)(H,28,29)
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CSF1R catalytic domain (unknown origin) expressed in baculovirus by HTRF assay


Bioorg Med Chem Lett 19: 697-700 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.046
BindingDB Entry DOI: 10.7270/Q26M36P8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50255744
PNG
(4-(2,4-difluorophenylamino)-6-(2-(dimethylamino)et...)
Show SMILES COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1NCCN(C)C
Show InChI InChI=1S/C21H23F2N5O2/c1-28(2)7-6-25-18-9-13-17(10-19(18)30-3)26-11-14(21(24)29)20(13)27-16-5-4-12(22)8-15(16)23/h4-5,8-11,25H,6-7H2,1-3H3,(H2,24,29)(H,26,27)
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CSF1R catalytic domain (unknown origin) expressed in baculovirus by HTRF assay


Bioorg Med Chem Lett 19: 697-700 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.046
BindingDB Entry DOI: 10.7270/Q26M36P8
More data for this
Ligand-Target Pair
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