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USPatent US10280184

Compile data set for download or QSAR
Found 71 hits of Enzyme Inhibition Constant Data   
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))		BDBM384230
PNG
(US10280184, Example E.1.3)
Show SMILES C[C@H]1CC[C@@H](CC1)c1cn2ncnc2c(Nc2cnn(C)c2)n1 |r,wU:4.7,wD:1.0,(5.19,4.86,;3.85,4.09,;2.52,4.86,;1.18,4.09,;1.18,2.55,;2.52,1.78,;3.85,2.55,;-.15,1.78,;-1.48,2.55,;-2.82,1.78,;-4.28,2.25,;-5.19,1.01,;-4.28,-.24,;-2.82,.24,;-1.48,-.53,;-1.48,-2.07,;-.15,-2.84,;-.15,-4.38,;1.32,-4.86,;2.22,-3.61,;3.71,-3.21,;1.32,-2.37,;-.15,.24,)|
Show InChI InChI=1S/C16H21N7/c1-11-3-5-12(6-4-11)14-9-23-16(17-10-19-23)15(21-14)20-13-7-18-22(2)8-13/h7-12H,3-6H2,1-2H3,(H,20,21)/t11-,12-
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n/an/a<100n/an/an/an/an/an/a



Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384246
PNG
(US10280184, Example F.1.9)
Show SMILES C=CC(=O)N1CC[C@H](C1)c1cn2ccnc2c(Nc2ccc3CCCC(=O)Nc3c2)n1 |r|
Show InChI InChI=1S/C23H24N6O2/c1-2-21(31)28-10-8-16(13-28)19-14-29-11-9-24-23(29)22(27-19)25-17-7-6-15-4-3-5-20(30)26-18(15)12-17/h2,6-7,9,11-12,14,16H,1,3-5,8,10,13H2,(H,25,27)(H,26,30)/t16-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384275
PNG
(US10280184, Example F.1.41)
Show SMILES C=CC(=O)N1CCC(C1)c1cc(Nc2cc3COCCn3n2)c2nccn2n1
Show InChI InChI=1S/C19H21N7O2/c1-2-18(27)24-5-3-13(11-24)15-10-16(19-20-4-6-26(19)22-15)21-17-9-14-12-28-8-7-25(14)23-17/h2,4,6,9-10,13H,1,3,5,7-8,11-12H2,(H,21,23)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384278
PNG
(US10280184, Example F.1.44)
Show SMILES CNC(=O)N1CCC(CC1)n1cc(Nc2nc(cn3ncnc23)C2CCCCC2)cn1
Show InChI InChI=1S/C21H29N9O/c1-22-21(31)28-9-7-17(8-10-28)29-12-16(11-24-29)26-19-20-23-14-25-30(20)13-18(27-19)15-5-3-2-4-6-15/h11-15,17H,2-10H2,1H3,(H,22,31)(H,26,27)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384224
PNG
(US10280184, Example A.1.8)
Show SMILES CCOC(=O)[C@H]1CC[C@H](CC1)n1cc(Nc2nc(cn3ncnc23)C2CCCCC2)cn1 |r,wU:8.11,5.4,(5.52,-9.6,;3.99,-9.44,;3.36,-8.03,;1.83,-7.87,;.92,-9.12,;1.2,-6.46,;-.33,-6.3,;-.96,-4.89,;-.05,-3.65,;1.48,-3.81,;2.11,-5.22,;-.68,-2.24,;-2.18,-1.92,;-2.35,-.39,;-3.68,.38,;-3.68,1.92,;-2.35,2.69,;-2.35,4.23,;-3.68,5,;-5.01,4.23,;-6.48,4.71,;-7.38,3.46,;-6.48,2.21,;-5.01,2.69,;-1.01,5,;-1.01,6.54,;.32,7.31,;1.66,6.54,;1.66,5,;.32,4.23,;-.94,.24,;.09,-.91,)|
Show InChI InChI=1S/C23H31N7O2/c1-2-32-23(31)17-8-10-19(11-9-17)29-13-18(12-25-29)27-21-22-24-15-26-30(22)14-20(28-21)16-6-4-3-5-7-16/h12-17,19H,2-11H2,1H3,(H,27,28)/t17-,19+
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384228
PNG
(US10280184, Example E.1.1)
Show SMILES CC(C)n1cc(Nc2nc(cn3ncnc23)C2CCCCC2)cn1
Show InChI InChI=1S/C17H23N7/c1-12(2)23-9-14(8-19-23)21-16-17-18-11-20-24(17)10-15(22-16)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,21,22)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384279
PNG
(US10280184, Example G.1.1)
Show SMILES O[C@H]1CCC[C@@H](C1)n1cc(Nc2nc(cn3ncnc23)C2CCCCC2)cn1 |r|
Show InChI InChI=1S/C20H27N7O/c28-17-8-4-7-16(9-17)26-11-15(10-22-26)24-19-20-21-13-23-27(20)12-18(25-19)14-5-2-1-3-6-14/h10-14,16-17,28H,1-9H2,(H,24,25)/t16-,17-/m0/s1
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384219
PNG
(US10280184, Example A.1.3)
Show SMILES CC1(C)CC(CC(C)(C)O1)n1cc(Nc2nc(cn3ncnc23)C2CCCCC2)cn1
Show InChI InChI=1S/C23H33N7O/c1-22(2)10-18(11-23(3,4)31-22)29-13-17(12-25-29)27-20-21-24-15-26-30(21)14-19(28-20)16-8-6-5-7-9-16/h12-16,18H,5-11H2,1-4H3,(H,27,28)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384232
PNG
(US10280184, Example E.1.5)
Show SMILES Cn1cc(Nc2nc(cn3ncnc23)[C@H]2CC[C@@H](CC2)C(F)(F)F)cn1 |r,wU:17.22,wD:14.15,(1.42,-6.29,;.65,-4.96,;-.82,-4.49,;-.82,-2.95,;-2.15,-2.18,;-2.15,-.64,;-.82,.13,;-.82,1.67,;-2.15,2.44,;-3.48,1.67,;-4.95,2.15,;-5.85,.9,;-4.95,-.34,;-3.48,.13,;.52,2.44,;1.85,1.67,;3.19,2.44,;3.19,3.98,;1.85,4.75,;.52,3.98,;4.52,4.75,;5.85,3.98,;4.52,6.29,;5.85,5.52,;.65,-2.47,;1.55,-3.72,)|
Show InChI InChI=1S/C16H18F3N7/c1-25-7-12(6-21-25)23-14-15-20-9-22-26(15)8-13(24-14)10-2-4-11(5-3-10)16(17,18)19/h6-11H,2-5H2,1H3,(H,23,24)/t10-,11-
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384234
PNG
(US10280184, Example E.1.7)
Show SMILES CN1CCn2nc(Nc3cc(cn4ncnc34)C3CCCCC3)cc2C1
Show InChI InChI=1S/C19H25N7/c1-24-7-8-25-16(12-24)10-18(23-25)22-17-9-15(14-5-3-2-4-6-14)11-26-19(17)20-13-21-26/h9-11,13-14H,2-8,12H2,1H3,(H,22,23)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384235
PNG
(US10280184, Example E.1.8)
Show SMILES Cn1cc(Nc2nc(cn3ncnc23)C2CCCC2)cn1
Show InChI InChI=1S/C14H17N7/c1-20-7-11(6-16-20)18-13-14-15-9-17-21(14)8-12(19-13)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H,18,19)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384261
PNG
(US10280184, Example F1.26)
Show SMILES C=CC(=O)N1CCC(C1)c1cc(Nc2cc3COCCn3n2)c2ncnn2c1
Show InChI InChI=1S/C19H21N7O2/c1-2-18(27)24-4-3-13(9-24)14-7-16(19-20-12-21-26(19)10-14)22-17-8-15-11-28-6-5-25(15)23-17/h2,7-8,10,12-13H,1,3-6,9,11H2,(H,22,23)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384277
PNG
(US10280184, Example F.1.43)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2nc(cn3ncnc23)C2CCCCC2)cn1
Show InChI InChI=1S/C21H28N8O/c1-15(30)27-9-7-18(8-10-27)28-12-17(11-23-28)25-20-21-22-14-24-29(21)13-19(26-20)16-5-3-2-4-6-16/h11-14,16,18H,2-10H2,1H3,(H,25,26)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384280
PNG
(US10280184, Example G.1.2 | US10280184, Example G....)
Show SMILES O[C@@H]1CCC[C@H](C1)n1cc(Nc2nc(cn3ncnc23)C2CCCCC2)cn1 |r|
Show InChI InChI=1S/C20H27N7O/c28-17-8-4-7-16(9-17)26-11-15(10-22-26)24-19-20-21-13-23-27(20)12-18(25-19)14-5-2-1-3-6-14/h10-14,16-17,28H,1-9H2,(H,24,25)/t16-,17-/m1/s1
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384281
PNG
(US10280184, Example G.1.3)
Show SMILES O[C@@H]1CCC[C@@H](C1)n1cc(Nc2nc(cn3ncnc23)C2CCCCC2)cn1 |r|
Show InChI InChI=1S/C20H27N7O/c28-17-8-4-7-16(9-17)26-11-15(10-22-26)24-19-20-21-13-23-27(20)12-18(25-19)14-5-2-1-3-6-14/h10-14,16-17,28H,1-9H2,(H,24,25)/t16-,17+/m0/s1
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384222
PNG
(US10280184, Example A.1.6)
Show SMILES O[C@H]1CC[C@H](CC1)n1cc(Nc2nc(cn3ncnc23)C2CCCCC2)cn1 |r,wU:4.7,1.0,(6.78,-3.57,;5.24,-3.57,;4.47,-4.9,;2.93,-4.9,;2.16,-3.57,;2.93,-2.23,;4.47,-2.23,;.62,-3.57,;-.28,-2.32,;-1.75,-2.8,;-3.08,-2.03,;-3.08,-.49,;-1.75,.28,;-1.75,1.82,;-3.08,2.59,;-4.41,1.82,;-5.88,2.3,;-6.78,1.05,;-5.88,-.19,;-4.41,.28,;-.41,2.59,;.92,1.82,;2.25,2.59,;2.25,4.13,;.92,4.9,;-.41,4.13,;-1.75,-4.34,;-.28,-4.81,)|
Show InChI InChI=1S/C20H27N7O/c28-17-8-6-16(7-9-17)26-11-15(10-22-26)24-19-20-21-13-23-27(20)12-18(25-19)14-4-2-1-3-5-14/h10-14,16-17,28H,1-9H2,(H,24,25)/t16-,17+
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384241
PNG
(US10280184, Example F.1.4)
Show SMILES C=CC(=O)N1CCCC(C1)c1cn2ncnc2c(Nc2ccc3CCCC(=O)Nc3c2)n1
Show InChI InChI=1S/C23H25N7O2/c1-2-21(32)29-10-4-6-16(12-29)19-13-30-23(24-14-25-30)22(28-19)26-17-9-8-15-5-3-7-20(31)27-18(15)11-17/h2,8-9,11,13-14,16H,1,3-7,10,12H2,(H,26,28)(H,27,31)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384233
PNG
(US10280184, Example E.1.6)
Show SMILES C1CCC(CC1)c1cc(Nc2cc3COCCn3n2)c2ncnn2c1
Show InChI InChI=1S/C18H22N6O/c1-2-4-13(5-3-1)14-8-16(18-19-12-20-24(18)10-14)21-17-9-15-11-25-7-6-23(15)22-17/h8-10,12-13H,1-7,11H2,(H,21,22)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384236
PNG
(US10280184, Example E.1.9)
Show SMILES CN1CCn2nc(Nc3cc(cn4ncnc34)C3CCCC3)cc2C1
Show InChI InChI=1S/C18H23N7/c1-23-6-7-24-15(11-23)9-17(22-24)21-16-8-14(13-4-2-3-5-13)10-25-18(16)19-12-20-25/h8-10,12-13H,2-7,11H2,1H3,(H,21,22)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384273
PNG
(US10280184, Example F.1.39)
Show SMILES CN1CCn2nc(Nc3cc(cn4ncnc34)[C@@H]3CCN(C3)C(=O)C=C)cc2C1 |r|
Show InChI InChI=1S/C20H24N8O/c1-3-19(29)26-5-4-14(10-26)15-8-17(20-21-13-22-28(20)11-15)23-18-9-16-12-25(2)6-7-27(16)24-18/h3,8-9,11,13-14H,1,4-7,10,12H2,2H3,(H,23,24)/t14-/m1/s1
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384276
PNG
(US10280184, Example F.1.42)
Show SMILES C=CC(=O)N1CC(C1)c1cc(Nc2cc3COCCn3n2)c2ncnn2c1
Show InChI InChI=1S/C18H19N7O2/c1-2-17(26)23-7-13(8-23)12-5-15(18-19-11-20-25(18)9-12)21-16-6-14-10-27-4-3-24(14)22-16/h2,5-6,9,11,13H,1,3-4,7-8,10H2,(H,21,22)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384218
PNG
(US10280184, Example A.1.2)
Show SMILES C1CCC(CC1)c1cn2ncnc2c(Nc2cnn(c2)C2CCOCC2)n1
Show InChI InChI=1S/C19H25N7O/c1-2-4-14(5-3-1)17-12-26-19(20-13-22-26)18(24-17)23-15-10-21-25(11-15)16-6-8-27-9-7-16/h10-14,16H,1-9H2,(H,23,24)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384226
PNG
(US10280184, Example D.1.1)
Show SMILES C1CCC(CC1)c1cn2ncnc2c(Nc2cnn(c2)C2CCNCC2)n1
Show InChI InChI=1S/C19H26N8/c1-2-4-14(5-3-1)17-12-27-19(21-13-23-27)18(25-17)24-15-10-22-26(11-15)16-6-8-20-9-7-16/h10-14,16,20H,1-9H2,(H,24,25)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384227
PNG
(US10280184, Example D.1.2)
Show SMILES C1CCC(C1)c1cn2ncnc2c(Nc2cnn(c2)C2CCNCC2)n1
Show InChI InChI=1S/C18H24N8/c1-2-4-13(3-1)16-11-26-18(20-12-22-26)17(24-16)23-14-9-21-25(10-14)15-5-7-19-8-6-15/h9-13,15,19H,1-8H2,(H,23,24)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384229
PNG
(US10280184, Example E.1.2)
Show SMILES Cn1cc(Nc2nc(cn3ncnc23)C2CCC(C)(C)CC2)cn1
Show InChI InChI=1S/C17H23N7/c1-17(2)6-4-12(5-7-17)14-10-24-16(18-11-20-24)15(22-14)21-13-8-19-23(3)9-13/h8-12H,4-7H2,1-3H3,(H,21,22)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384242
PNG
(US10280184, Example F.1.5)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1cn2ncnc2c(Nc2ccc3CCCC(=O)Nc3c2)n1
Show InChI InChI=1S/C24H21N7O2/c1-2-21(32)27-17-7-3-6-16(11-17)20-13-31-24(25-14-26-31)23(30-20)28-18-10-9-15-5-4-8-22(33)29-19(15)12-18/h2-3,6-7,9-14H,1,4-5,8H2,(H,27,32)(H,28,30)(H,29,33)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384269
PNG
(US10280184, Example F1.35)
Show SMILES Cn1ccc(Nc2cc(cn3ncnc23)[C@H]2CCC[C@H](C2)NC(=O)C=C)n1 |r|
Show InChI InChI=1S/C19H23N7O/c1-3-18(27)22-15-6-4-5-13(9-15)14-10-16(19-20-12-21-26(19)11-14)23-17-7-8-25(2)24-17/h3,7-8,10-13,15H,1,4-6,9H2,2H3,(H,22,27)(H,23,24)/t13-,15+/m0/s1
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384272
PNG
(US10280184, Example F.1.38)
Show SMILES Cn1ccc(Nc2cc(cn3ncnc23)[C@H]2CCN(C2)C(=O)C=C)n1 |r|
Show InChI InChI=1S/C17H19N7O/c1-3-16(25)23-7-4-12(9-23)13-8-14(17-18-11-19-24(17)10-13)20-15-5-6-22(2)21-15/h3,5-6,8,10-12H,1,4,7,9H2,2H3,(H,20,21)/t12-/m0/s1
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384274
PNG
(US10280184, Example F.1.40)
Show SMILES CN1CCn2nc(Nc3cc(cn4ncnc34)[C@@H]3CCCN(C3)C(=O)C=C)cc2C1 |r|
Show InChI InChI=1S/C21H26N8O/c1-3-20(30)27-6-4-5-15(11-27)16-9-18(21-22-14-23-29(21)12-16)24-19-10-17-13-26(2)7-8-28(17)25-19/h3,9-10,12,14-15H,1,4-8,11,13H2,2H3,(H,24,25)/t15-/m1/s1
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384223
PNG
(US10280184, Example A.1.7)
Show SMILES C1CCC(CC1)c1cn2ncnc2c(Nc2cn[nH]c2)n1
Show InChI InChI=1S/C14H17N7/c1-2-4-10(5-3-1)12-8-21-14(15-9-18-21)13(20-12)19-11-6-16-17-7-11/h6-10H,1-5H2,(H,16,17)(H,19,20)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384237
PNG
(US10280184, Example E.1.10)
Show SMILES Cn1cc(Nc2nc(cn3ncnc23)C2CCCCC2)cn1
Show InChI InChI=1S/C15H19N7/c1-21-8-12(7-17-21)19-14-15-16-10-18-22(15)9-13(20-14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,19,20)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384217
PNG
(US10280184, Example A.1.1)
Show SMILES CC(C)(O)CCn1cc(Nc2nc(cn3ncnc23)C2CCCCC2)cn1
Show InChI InChI=1S/C19H27N7O/c1-19(2,27)8-9-25-11-15(10-21-25)23-17-18-20-13-22-26(18)12-16(24-17)14-6-4-3-5-7-14/h10-14,27H,3-9H2,1-2H3,(H,23,24)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384220
PNG
(US10280184, Example A.1.4)
Show SMILES C1OCC1n1cc(Nc2nc(cn3ncnc23)C2CCCCC2)cn1
Show InChI InChI=1S/C17H21N7O/c1-2-4-12(5-3-1)15-8-24-17(18-11-20-24)16(22-15)21-13-6-19-23(7-13)14-9-25-10-14/h6-8,11-12,14H,1-5,9-10H2,(H,21,22)
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384221
PNG
(US10280184, Example A.1.5)
Show SMILES O[C@H]1CC[C@@H](CC1)n1cc(Nc2nc(cn3ncnc23)C2CCCCC2)cn1 |r,wU:4.7,wD:1.0,(6.78,-3.57,;5.24,-3.57,;4.47,-2.23,;2.93,-2.23,;2.16,-3.57,;2.93,-4.9,;4.47,-4.9,;.62,-3.57,;-.28,-2.32,;-1.75,-2.8,;-3.08,-2.03,;-3.08,-.49,;-1.75,.28,;-1.75,1.82,;-3.08,2.59,;-4.41,1.82,;-5.88,2.3,;-6.78,1.05,;-5.88,-.19,;-4.41,.28,;-.41,2.59,;.92,1.82,;2.25,2.59,;2.25,4.13,;.92,4.9,;-.41,4.13,;-1.75,-4.34,;-.28,-4.81,)|
Show InChI InChI=1S/C20H27N7O/c28-17-8-6-16(7-9-17)26-11-15(10-22-26)24-19-20-21-13-23-27(20)12-18(25-19)14-4-2-1-3-5-14/h10-14,16-17,28H,1-9H2,(H,24,25)/t16-,17-
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384231
PNG
(US10280184, Example E.1.4)
Show SMILES C[C@H]1CC[C@H](CC1)c1cn2ncnc2c(Nc2cnn(C)c2)n1 |r,wU:4.7,1.0,(5.19,4.86,;3.85,4.09,;3.85,2.55,;2.52,1.78,;1.18,2.55,;1.18,4.09,;2.52,4.86,;-.15,1.78,;-1.48,2.55,;-2.82,1.78,;-4.28,2.25,;-5.19,1.01,;-4.28,-.24,;-2.82,.24,;-1.48,-.53,;-1.48,-2.07,;-.15,-2.84,;-.15,-4.38,;1.32,-4.86,;2.22,-3.61,;3.71,-3.21,;1.32,-2.37,;-.15,.24,)|
Show InChI InChI=1S/C16H21N7/c1-11-3-5-12(6-4-11)14-9-23-16(17-10-19-23)15(21-14)20-13-7-18-22(2)8-13/h7-12H,3-6H2,1-2H3,(H,20,21)/t11-,12+
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384257
PNG
(US10280184, Example F.1.22)
Show SMILES Cn1cc(Nc2nc(cn3ncnc23)C2CCN(C2)C(=O)C=C)cn1
Show InChI InChI=1S/C16H18N8O/c1-3-14(25)23-5-4-11(7-23)13-9-24-16(17-10-19-24)15(21-13)20-12-6-18-22(2)8-12/h3,6,8-11H,1,4-5,7H2,2H3,(H,20,21)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))		BDBM384280
PNG
(US10280184, Example G.1.2 | US10280184, Example G....)
Show SMILES O[C@@H]1CCC[C@H](C1)n1cc(Nc2nc(cn3ncnc23)C2CCCCC2)cn1 |r|
Show InChI InChI=1S/C20H27N7O/c28-17-8-4-7-16(9-17)26-11-15(10-22-26)24-19-20-21-13-23-27(20)12-18(25-19)14-5-2-1-3-6-14/h10-14,16-17,28H,1-9H2,(H,24,25)/t16-,17-/m1/s1
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Saarland University



Assay Description
The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mi...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384247
PNG
(US10280184, Example F.1.10)
Show SMILES C=CC(=O)N1CC[C@@H](C1)c1cn2ccnc2c(Nc2ccc3CCCC(=O)Nc3c2)n1 |r|
Show InChI InChI=1S/C23H24N6O2/c1-2-21(31)28-10-8-16(13-28)19-14-29-11-9-24-23(29)22(27-19)25-17-7-6-15-4-3-5-20(30)26-18(15)12-17/h2,6-7,9,11-12,14,16H,1,3-5,8,10,13H2,(H,25,27)(H,26,30)/t16-/m0/s1
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384283
PNG
(US10280184, Example I.1.1)
Show SMILES Cn1ccc(Nc2cc(cn3ncnc23)C2CCCN(C2)C#N)n1
Show InChI InChI=1S/C16H18N8/c1-22-6-4-15(21-22)20-14-7-13(9-24-16(14)18-11-19-24)12-3-2-5-23(8-12)10-17/h4,6-7,9,11-12H,2-3,5,8H2,1H3,(H,20,21)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384256
PNG
(US10280184, Example F.1.21)
Show SMILES Cn1ccc(Nc2cc(cn3ncnc23)C2CCCN(C2)C(=O)C=C)n1
Show InChI InChI=1S/C18H21N7O/c1-3-17(26)24-7-4-5-13(10-24)14-9-15(18-19-12-20-25(18)11-14)21-16-6-8-23(2)22-16/h3,6,8-9,11-13H,1,4-5,7,10H2,2H3,(H,21,22)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384250
PNG
(US10280184, Example F.1.13)
Show SMILES C=CC(=O)N1CCC(C1)c1cn2ncnc2c(Nc2ccc3CCC(=O)Nc3c2)n1
Show InChI InChI=1S/C21H21N7O2/c1-2-19(30)27-8-7-14(10-27)17-11-28-21(22-12-23-28)20(26-17)24-15-5-3-13-4-6-18(29)25-16(13)9-15/h2-3,5,9,11-12,14H,1,4,6-8,10H2,(H,24,26)(H,25,29)
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n/an/a 550n/an/an/an/an/an/a



Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384243
PNG
(US10280184, Example F.1.6)
Show SMILES C=CC(=O)NCc1cccc(c1)-c1cn2ncnc2c(Nc2ccc3CCCC(=O)Nc3c2)n1
Show InChI InChI=1S/C25H23N7O2/c1-2-22(33)26-13-16-5-3-7-18(11-16)21-14-32-25(27-15-28-32)24(31-21)29-19-10-9-17-6-4-8-23(34)30-20(17)12-19/h2-3,5,7,9-12,14-15H,1,4,6,8,13H2,(H,26,33)(H,29,31)(H,30,34)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384284
PNG
(US10280184, Example I.1.2)
Show SMILES Cn1cc(Nc2nc(cn3ncnc23)C2CCN(C2)C#N)cn1
Show InChI InChI=1S/C14H15N9/c1-21-6-11(4-17-21)19-13-14-16-9-18-23(14)7-12(20-13)10-2-3-22(5-10)8-15/h4,6-7,9-10H,2-3,5H2,1H3,(H,19,20)
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n/an/a 550n/an/an/an/an/an/a



Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384264
PNG
(US10280184, Example F1.30)
Show SMILES C=CC(=O)N1CCCC(C1)c1cc(Nc2cc3COCCn3n2)c2ncnn2c1
Show InChI InChI=1S/C20H23N7O2/c1-2-19(28)25-5-3-4-14(10-25)15-8-17(20-21-13-22-27(20)11-15)23-18-9-16-12-29-7-6-26(16)24-18/h2,8-9,11,13-14H,1,3-7,10,12H2,(H,23,24)
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n/an/a 550n/an/an/an/an/an/a



Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384254
PNG
(US10280184, Example F.1.19)
Show SMILES C=CC(=O)N1CCC(C1)c1cn2ncnc2c(Nc2ccc(nc2)N2CCOCC2)n1
Show InChI InChI=1S/C21H24N8O2/c1-2-19(30)28-6-5-15(12-28)17-13-29-21(23-14-24-29)20(26-17)25-16-3-4-18(22-11-16)27-7-9-31-10-8-27/h2-4,11,13-15H,1,5-10,12H2,(H,25,26)
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n/an/a 550n/an/an/an/an/an/a



Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384245
PNG
(US10280184, Example F.1.8)
Show SMILES COc1ccc(Nc2nc(cn3ncnc23)C2CCN(C2)C(=O)C=C)cc1OC
Show InChI InChI=1S/C20H22N6O3/c1-4-18(27)25-8-7-13(10-25)15-11-26-20(21-12-22-26)19(24-15)23-14-5-6-16(28-2)17(9-14)29-3/h4-6,9,11-13H,1,7-8,10H2,2-3H3,(H,23,24)
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n/an/a 550n/an/an/an/an/an/a



Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384238
PNG
(US10280184, Example F.1.1)
Show SMILES C=CC(=O)NCc1cccc(c1)-c1cn2ncnc2c(NC23CC(C2)C3)n1
Show InChI InChI=1S/C20H20N6O/c1-2-17(27)21-10-13-4-3-5-15(6-13)16-11-26-19(22-12-23-26)18(24-16)25-20-7-14(8-20)9-20/h2-6,11-12,14H,1,7-10H2,(H,21,27)(H,24,25)
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n/an/a 550n/an/an/an/an/an/a



Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384268
PNG
(US10280184, Example F1.34)
Show SMILES Cn1ccc(Nc2cc(cn3ncnc23)[C@@H]2CC[C@@H](C2)NC(=O)C=C)n1 |r|
Show InChI InChI=1S/C18H21N7O/c1-3-17(26)21-14-5-4-12(8-14)13-9-15(18-19-11-20-25(18)10-13)22-16-6-7-24(2)23-16/h3,6-7,9-12,14H,1,4-5,8H2,2H3,(H,21,26)(H,22,23)/t12-,14+/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384262
PNG
(US10280184, Example F.128)
Show SMILES C=CC(=O)N1CCCC(C1)c1cc(Nc2ccc(cn2)N2CCOCC2)c2ncnn2c1
Show InChI InChI=1S/C23H27N7O2/c1-2-22(31)29-7-3-4-17(14-29)18-12-20(23-25-16-26-30(23)15-18)27-21-6-5-19(13-24-21)28-8-10-32-11-9-28/h2,5-6,12-13,15-17H,1,3-4,7-11,14H2,(H,24,27)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384248
PNG
(US10280184, Example F.1.11)
Show SMILES COc1ccc(Nc2nc(cn3ncnc23)[C@H]2CCN(C2)C(=O)C=C)cc1OC |r|
Show InChI InChI=1S/C20H22N6O3/c1-4-18(27)25-8-7-13(10-25)15-11-26-20(21-12-22-26)19(24-15)23-14-5-6-16(28-2)17(9-14)29-3/h4-6,9,11-13H,1,7-8,10H2,2-3H3,(H,23,24)/t13-/m0/s1
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384270
PNG
(US10280184, Example F1.36)
Show SMILES Cn1ccc(Nc2cc(cn3ncnc23)[C@H]2CCC[C@@H](C2)NC(=O)C=C)n1 |r|
Show InChI InChI=1S/C19H23N7O/c1-3-18(27)22-15-6-4-5-13(9-15)14-10-16(19-20-12-21-26(19)11-14)23-17-7-8-25(2)24-17/h3,7-8,10-13,15H,1,4-6,9H2,2H3,(H,22,27)(H,23,24)/t13-,15-/m0/s1
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384253
PNG
(US10280184, Example F.1.18)
Show SMILES C=CC(=O)N1CCCC(C1)c1cn2ncnc2c(Nc2ccc(nc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H26N8O2/c1-2-20(31)29-7-3-4-16(13-29)18-14-30-22(24-15-25-30)21(27-18)26-17-5-6-19(23-12-17)28-8-10-32-11-9-28/h2,5-6,12,14-16H,1,3-4,7-11,13H2,(H,26,27)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384263
PNG
(US10280184, Example F1.29)
Show SMILES C=CC(=O)N1CCCC(C1)c1cc(Nc2cccc(n2)N2CCOCC2)c2ncnn2c1
Show InChI InChI=1S/C23H27N7O2/c1-2-22(31)29-8-4-5-17(14-29)18-13-19(23-24-16-25-30(23)15-18)26-20-6-3-7-21(27-20)28-9-11-32-12-10-28/h2-3,6-7,13,15-17H,1,4-5,8-12,14H2,(H,26,27)
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n/an/a 550n/an/an/an/an/an/a



Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384239
PNG
(US10280184, Example F.1.2)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1cn2ncnc2c(NC23CC(C2)C3)n1
Show InChI InChI=1S/C19H18N6O/c1-2-16(26)22-14-5-3-4-13(6-14)15-10-25-18(20-11-21-25)17(23-15)24-19-7-12(8-19)9-19/h2-6,10-12H,1,7-9H2,(H,22,26)(H,23,24)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384285
PNG
(US10280184, Example I.1.3)
Show SMILES N#CN1CCCC(C1)c1cc(Nc2cc3COCCn3n2)c2ncnn2c1
Show InChI InChI=1S/C18H20N8O/c19-11-24-3-1-2-13(8-24)14-6-16(18-20-12-21-26(18)9-14)22-17-7-15-10-27-5-4-25(15)23-17/h6-7,9,12-13H,1-5,8,10H2,(H,22,23)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384251
PNG
(US10280184, Example F.1.15)
Show SMILES C=CC(=O)N1CCC(C1)c1cn2ncnc2c(Nc2ccc3CCCC(=O)Nc3c2)n1
Show InChI InChI=1S/C22H23N7O2/c1-2-20(31)28-9-8-15(11-28)18-12-29-22(23-13-24-29)21(27-18)25-16-7-6-14-4-3-5-19(30)26-17(14)10-16/h2,6-7,10,12-13,15H,1,3-5,8-9,11H2,(H,25,27)(H,26,30)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384286
PNG
(US10280184, Example I.1.4)
Show SMILES Cn1ccc(Nc2cc(cn3ncnc23)[C@H]2CCC[C@@H](C2)NC#N)n1 |r|
Show InChI InChI=1S/C17H20N8/c1-24-6-5-16(23-24)22-15-8-13(9-25-17(15)20-11-21-25)12-3-2-4-14(7-12)19-10-18/h5-6,8-9,11-12,14,19H,2-4,7H2,1H3,(H,22,23)/t12-,14-/m0/s1
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384255
PNG
(US10280184, Example F.1.20)
Show SMILES CN1CCN(C1=O)c1ccc(Nc2nc(cn3ncnc23)C2CCN(C2)C(=O)C=C)cc1
Show InChI InChI=1S/C22H24N8O2/c1-3-19(31)28-9-8-15(12-28)18-13-30-21(23-14-24-30)20(26-18)25-16-4-6-17(7-5-16)29-11-10-27(2)22(29)32/h3-7,13-15H,1,8-12H2,2H3,(H,25,26)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384266
PNG
(US10280184, Example F1.32)
Show SMILES Cc1noc(Nc2cc(cn3ncnc23)C2CCCN(C2)C(=O)C=C)n1
Show InChI InChI=1S/C17H19N7O2/c1-3-15(25)23-6-4-5-12(8-23)13-7-14(16-18-10-19-24(16)9-13)21-17-20-11(2)22-26-17/h3,7,9-10,12H,1,4-6,8H2,2H3,(H,20,21,22)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384252
PNG
(US10280184, Example F.1.16)
Show SMILES CNc1nc(cn2ncnc12)C1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C13H16N6O/c1-3-11(20)18-5-4-9(6-18)10-7-19-13(15-8-16-19)12(14-2)17-10/h3,7-9H,1,4-6H2,2H3,(H,14,17)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384260
PNG
(US10280184, Example F1.25)
Show SMILES Cn1cc(Nc2nc(cn3ncnc23)[C@@H]2CCN(C2)C(=O)C=C)cn1 |r|
Show InChI InChI=1S/C16H18N8O/c1-3-14(25)23-5-4-11(7-23)13-9-24-16(17-10-19-24)15(21-13)20-12-6-18-22(2)8-12/h3,6,8-11H,1,4-5,7H2,2H3,(H,20,21)/t11-/m1/s1
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384249
PNG
(US10280184, Example F.1.112)
Show SMILES COc1ccc(Nc2nc(cn3ncnc23)[C@@H]2CCN(C2)C(=O)C=C)cc1OC |r|
Show InChI InChI=1S/C20H22N6O3/c1-4-18(27)25-8-7-13(10-25)15-11-26-20(21-12-22-26)19(24-15)23-14-5-6-16(28-2)17(9-14)29-3/h4-6,9,11-13H,1,7-8,10H2,2-3H3,(H,23,24)/t13-/m1/s1
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384240
PNG
(US10280184, Example F.1.3)
Show SMILES C=CC(=O)Nc1ccccc1-c1cn2ncnc2c(NC23CC(C2)C3)n1
Show InChI InChI=1S/C19H18N6O/c1-2-16(26)22-14-6-4-3-5-13(14)15-10-25-18(20-11-21-25)17(23-15)24-19-7-12(8-19)9-19/h2-6,10-12H,1,7-9H2,(H,22,26)(H,23,24)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384267
PNG
(US10280184, Example F1.33)
Show SMILES C=CC(=O)N1CC[C@H](C1)c1cc(Nc2cc3COCCn3n2)c2ncnn2c1 |r|
Show InChI InChI=1S/C19H21N7O2/c1-2-18(27)24-4-3-13(9-24)14-7-16(19-20-12-21-26(19)10-14)22-17-8-15-11-28-6-5-25(15)23-17/h2,7-8,10,12-13H,1,3-6,9,11H2,(H,22,23)/t13-/m1/s1
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384244
PNG
(US10280184, Example F.1.7)
Show SMILES C=CC(=O)N1CCC(C1)c1cn2ncnc2c(Nc2cc(ccn2)N2CCOCC2)n1
Show InChI InChI=1S/C21H24N8O2/c1-2-19(30)28-6-4-15(12-28)17-13-29-21(23-14-24-29)20(25-17)26-18-11-16(3-5-22-18)27-7-9-31-10-8-27/h2-3,5,11,13-15H,1,4,6-10,12H2,(H,22,25,26)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384225
PNG
(US10280184, Example C.1.1)
Show SMILES C=CC(=O)NCc1cccc(c1)-c1cn2ncnc2c(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C25H25N7O2/c1-2-23(33)26-15-18-4-3-5-19(14-18)22-16-32-25(27-17-28-32)24(30-22)29-20-6-8-21(9-7-20)31-10-12-34-13-11-31/h2-9,14,16-17H,1,10-13,15H2,(H,26,33)(H,29,30)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384244
PNG
(US10280184, Example F.1.7)
Show SMILES C=CC(=O)N1CCC(C1)c1cn2ncnc2c(Nc2cc(ccn2)N2CCOCC2)n1
Show InChI InChI=1S/C21H24N8O2/c1-2-19(30)28-6-4-15(12-28)17-13-29-21(23-14-24-29)20(25-17)26-18-11-16(3-5-22-18)27-7-9-31-10-8-27/h2-3,5,11,13-15H,1,4,6-10,12H2,(H,22,25,26)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384259
PNG
(US10280184, Example F1.24)
Show SMILES C=CC(=O)N1CCC[C@H](C1)c1cc(Nc2cc3COCCn3n2)c2ncnn2c1 |r|
Show InChI InChI=1S/C20H23N7O2/c1-2-19(28)25-5-3-4-14(10-25)15-8-17(20-21-13-22-27(20)11-15)23-18-9-16-12-29-7-6-26(16)24-18/h2,8-9,11,13-14H,1,3-7,10,12H2,(H,23,24)/t14-/m1/s1
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384258
PNG
(US10280184, Example F.1.23)
Show SMILES Cn1ccc(Nc2nc(cn3ncnc23)C2CCN(C2)C(=O)C=C)n1
Show InChI InChI=1S/C16H18N8O/c1-3-14(25)23-7-4-11(8-23)12-9-24-16(17-10-18-24)15(19-12)20-13-5-6-22(2)21-13/h3,5-6,9-11H,1,4,7-8H2,2H3,(H,19,20,21)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384265
PNG
(US10280184, Example F1.31)
Show SMILES CC(C)c1noc(Nc2cc(cn3ncnc23)C2CCCN(C2)C(=O)C=C)n1
Show InChI InChI=1S/C19H23N7O2/c1-4-16(27)25-7-5-6-13(9-25)14-8-15(18-20-11-21-26(18)10-14)22-19-23-17(12(2)3)24-28-19/h4,8,10-13H,1,5-7,9H2,2-3H3,(H,22,23,24)
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM384271
PNG
(US10280184, Example F1.37)
Show SMILES Cn1ccc(Nc2cc(cn3ncnc23)[C@@H]2CCN(C2)C(=O)C=C)n1 |r|
Show InChI InChI=1S/C17H19N7O/c1-3-16(25)23-7-4-12(9-23)13-8-14(17-18-11-19-24(17)10-13)20-15-5-6-22(2)21-15/h3,5-6,8,10-12H,1,4,7,9H2,2H3,(H,20,21)/t12-/m1/s1
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Saarland University



Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

J Med Chem 51: 6725-39 (2008)


BindingDB Entry DOI: 10.7270/Q2PR7Z9P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%