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Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'buffa' and Initial = 'l'   
Target
(Institution)
LigandTarget
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
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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6.20n/an/an/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin)


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neurotrophic tyrosine kinase receptor


(Homo Sapiens)
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of TRKA (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170106
PNG
(CHEMBL3805643)
Show SMILES Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(cc4NC4CCOCC4)N4CCNCC4)c3c2)c1
Show InChI InChI=1S/C30H32F2N6O2/c31-21-14-20(15-22(32)17-21)13-19-1-4-27-26(16-19)29(37-36-27)35-30(39)25-3-2-24(38-9-7-33-8-10-38)18-28(25)34-23-5-11-40-12-6-23/h1-4,14-18,23,33-34H,5-13H2,(H2,35,36,37,39)
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n/an/a 3n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Neurotrophic tyrosine kinase receptor type 2


(Homo sapiens (Human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 3n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TRKB incubated for 90 mins by selectscreen kinase assay


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 3n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of human TEL (336 residues) fused-TRKC (454 to 825 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibi...


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Neurotrophic tyrosine kinase receptor type 2


(Homo sapiens (Human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 3n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of human TEL (336 residues) fused-TRKB (455 to 822 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibi...


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Neurotrophic tyrosine kinase receptor


(Homo Sapiens)
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 3n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of human TEL (336 residues) fused-TRKA (440 to 796 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibi...


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 5n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of human TEL (336 residues) fused-ROS1 (1891 to 2347 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhi...


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 5n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TRKC incubated for 90 mins by selectscreen kinase assay


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 7n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170108
PNG
(CHEMBL3806122)
Show SMILES CN1CCC(CC1)Oc1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C32H35F2N5O3/c1-39-10-6-25(7-11-39)42-26-3-4-27(30(19-26)35-24-8-12-41-13-9-24)32(40)36-31-28-17-20(2-5-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2-5,15-19,24-25,35H,6-14H2,1H3,(H2,36,37,38,40)
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n/an/a 9n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170102
PNG
(CHEMBL3805123)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N[C@H]2CC[C@H](O)CC2)c1
Show InChI InChI=1/C32H36F2N6O2/c1-39-10-12-40(13-11-39)25-5-8-27(30(19-25)35-24-3-6-26(41)7-4-24)32(42)36-31-28-17-20(2-9-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2,5,8-9,15-19,24,26,35,41H,3-4,6-7,10-14H2,1H3,(H2,36,37,38,42)/t24-,26-
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n/an/a 10n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 12n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170100
PNG
(CHEMBL3805899)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NCCF)c1
Show InChI InChI=1S/C28H29F3N6O/c1-36-8-10-37(11-9-36)22-3-4-23(26(17-22)32-7-6-29)28(38)33-27-24-15-18(2-5-25(24)34-35-27)12-19-13-20(30)16-21(31)14-19/h2-5,13-17,32H,6-12H2,1H3,(H2,33,34,35,38)
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n/an/a 14n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170104
PNG
(CHEMBL3805020)
Show SMILES CN1CCC(CC1)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C32H37F2N7O/c1-39-9-7-25(8-10-39)35-30-20-26(41-13-11-40(2)12-14-41)4-5-27(30)32(42)36-31-28-18-21(3-6-29(28)37-38-31)15-22-16-23(33)19-24(34)17-22/h3-6,16-20,25,35H,7-15H2,1-2H3,(H2,36,37,38,42)
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n/an/a 15n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170105
PNG
(CHEMBL3805741)
Show SMILES CN(C)CCN(C)C(=O)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C32H36F2N6O3/c1-39(2)10-11-40(3)32(42)22-5-6-26(29(18-22)35-25-8-12-43-13-9-25)31(41)36-30-27-17-20(4-7-28(27)37-38-30)14-21-15-23(33)19-24(34)16-21/h4-7,15-19,25,35H,8-14H2,1-3H3,(H2,36,37,38,41)
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n/an/a 15n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170107
PNG
(CHEMBL3806112)
Show SMILES Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(CN5CCCCC5)cc4NC4CCOCC4)c3c2)c1
Show InChI InChI=1S/C32H35F2N5O2/c33-24-15-23(16-25(34)19-24)14-21-5-7-29-28(17-21)31(38-37-29)36-32(40)27-6-4-22(20-39-10-2-1-3-11-39)18-30(27)35-26-8-12-41-13-9-26/h4-7,15-19,26,35H,1-3,8-14,20H2,(H2,36,37,38,40)
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n/an/a 18n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170077
PNG
(CHEMBL3805214)
Show SMILES C[C@H](c1ccc2[nH]nc(NC(=O)c3ccc(cc3NC3CCOCC3)N3CCN(C)CC3)c2c1)c1cc(F)cc(F)c1
Show InChI InChI=1/C32H36F2N6O2/c1-20(22-15-23(33)18-24(34)16-22)21-3-6-29-28(17-21)31(38-37-29)36-32(41)27-5-4-26(40-11-9-39(2)10-12-40)19-30(27)35-25-7-13-42-14-8-25/h3-6,15-20,25,35H,7-14H2,1-2H3,(H2,36,37,38,41)/t20-/s2
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n/an/a 19n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170112
PNG
(CHEMBL3805749)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NCCO)c1
Show InChI InChI=1S/C28H30F2N6O2/c1-35-7-9-36(10-8-35)22-3-4-23(26(17-22)31-6-11-37)28(38)32-27-24-15-18(2-5-25(24)33-34-27)12-19-13-20(29)16-21(30)14-19/h2-5,13-17,31,37H,6-12H2,1H3,(H2,32,33,34,38)
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n/an/a 26n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50170106
PNG
(CHEMBL3805643)
Show SMILES Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(cc4NC4CCOCC4)N4CCNCC4)c3c2)c1
Show InChI InChI=1S/C30H32F2N6O2/c31-21-14-20(15-22(32)17-21)13-19-1-4-27-26(16-19)29(37-36-27)35-30(39)25-3-2-24(38-9-7-33-8-10-38)18-28(25)34-23-5-11-40-12-6-23/h1-4,14-18,23,33-34H,5-13H2,(H2,35,36,37,39)
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n/an/a 28n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170079
PNG
(CHEMBL3805002)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cccc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H35FN6O2/c1-37-11-13-38(14-12-37)25-6-7-26(29(20-25)33-24-9-15-40-16-10-24)31(39)34-30-27-19-22(5-8-28(27)35-36-30)17-21-3-2-4-23(32)18-21/h2-8,18-20,24,33H,9-17H2,1H3,(H2,34,35,36,39)
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n/an/a 30n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170080
PNG
(CHEMBL3805462)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)ccc4F)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-10-12-39(13-11-38)24-4-5-25(29(19-24)34-23-8-14-41-15-9-23)31(40)35-30-26-17-20(2-7-28(26)36-37-30)16-21-18-22(32)3-6-27(21)33/h2-7,17-19,23,34H,8-16H2,1H3,(H2,35,36,37,40)
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n/an/a 38n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 40n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50170106
PNG
(CHEMBL3805643)
Show SMILES Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(cc4NC4CCOCC4)N4CCNCC4)c3c2)c1
Show InChI InChI=1S/C30H32F2N6O2/c31-21-14-20(15-22(32)17-21)13-19-1-4-27-26(16-19)29(37-36-27)35-30(39)25-3-2-24(38-9-7-33-8-10-38)18-28(25)34-23-5-11-40-12-6-23/h1-4,14-18,23,33-34H,5-13H2,(H2,35,36,37,39)
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n/an/a 41n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IR (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170076
PNG
(CHEMBL3804988)
Show SMILES C[C@@H](c1ccc2[nH]nc(NC(=O)c3ccc(cc3NC3CCOCC3)N3CCN(C)CC3)c2c1)c1cc(F)cc(F)c1
Show InChI InChI=1/C32H36F2N6O2/c1-20(22-15-23(33)18-24(34)16-22)21-3-6-29-28(17-21)31(38-37-29)36-32(41)27-5-4-26(40-11-9-39(2)10-12-40)19-30(27)35-25-7-13-42-14-8-25/h3-6,15-20,25,35H,7-14H2,1-2H3,(H2,36,37,38,41)/t20-/s2
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n/an/a 59n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170101
PNG
(CHEMBL3806280)
Show SMILES CN1CC(CNc2cc(ccc2C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)N2CCN(C)CC2)C1
Show InChI InChI=1S/C31H35F2N7O/c1-38-7-9-40(10-8-38)25-4-5-26(29(16-25)34-17-22-18-39(2)19-22)31(41)35-30-27-14-20(3-6-28(27)36-37-30)11-21-12-23(32)15-24(33)13-21/h3-6,12-16,22,34H,7-11,17-19H2,1-2H3,(H2,35,36,37,41)
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n/an/a 67n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170081
PNG
(CHEMBL3805516)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N)c1
Show InChI InChI=1S/C26H26F2N6O/c1-33-6-8-34(9-7-33)20-3-4-21(23(29)15-20)26(35)30-25-22-13-16(2-5-24(22)31-32-25)10-17-11-18(27)14-19(28)12-17/h2-5,11-15H,6-10,29H2,1H3,(H2,30,31,32,35)
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n/an/a 67n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 70n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170109
PNG
(CHEMBL3805786)
Show SMILES COC[C@@H](C)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
Show InChI InChI=1/C30H34F2N6O2/c1-19(18-40-3)33-28-17-24(38-10-8-37(2)9-11-38)5-6-25(28)30(39)34-29-26-15-20(4-7-27(26)35-36-29)12-21-13-22(31)16-23(32)14-21/h4-7,13-17,19,33H,8-12,18H2,1-3H3,(H2,34,35,36,39)/t19-/s2
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n/an/a 72n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM158155
PNG
(US9029356, 4 | US9255087, 4)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12
Show InChI InChI=1S/C26H25F2N5O/c1-32-8-10-33(11-9-32)22-5-3-19(4-6-22)26(34)29-25-23-15-17(2-7-24(23)30-31-25)12-18-13-20(27)16-21(28)14-18/h2-7,13-16H,8-12H2,1H3,(H2,29,30,31,34)
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n/an/a 73n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170103
PNG
(CHEMBL3805129)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N[C@@H]2CC[C@H](O)CC2)c1
Show InChI InChI=1/C32H36F2N6O2/c1-39-10-12-40(13-11-39)25-5-8-27(30(19-25)35-24-3-6-26(41)7-4-24)32(42)36-31-28-17-20(2-9-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2,5,8-9,15-19,24,26,35,41H,3-4,6-7,10-14H2,1H3,(H2,36,37,38,42)/t24-,26+
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n/an/a 98n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170111
PNG
(CHEMBL3805254)
Show SMILES COCC(COC)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C31H36F2N6O3/c1-38-8-10-39(11-9-38)25-5-6-26(29(17-25)34-24(18-41-2)19-42-3)31(40)35-30-27-15-20(4-7-28(27)36-37-30)12-21-13-22(32)16-23(33)14-21/h4-7,13-17,24,34H,8-12,18-19H2,1-3H3,(H2,35,36,37,40)
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n/an/a 99n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170078
PNG
(CHEMBL3806196)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4ccccc4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H36N6O2/c1-36-13-15-37(16-14-36)25-8-9-26(29(21-25)32-24-11-17-39-18-12-24)31(38)33-30-27-20-23(7-10-28(27)34-35-30)19-22-5-3-2-4-6-22/h2-10,20-21,24,32H,11-19H2,1H3,(H2,33,34,35,38)
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n/an/a 106n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 112n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 122n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50170102
PNG
(CHEMBL3805123)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N[C@H]2CC[C@H](O)CC2)c1
Show InChI InChI=1/C32H36F2N6O2/c1-39-10-12-40(13-11-39)25-5-8-27(30(19-25)35-24-3-6-26(41)7-4-24)32(42)36-31-28-17-20(2-9-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2,5,8-9,15-19,24,26,35,41H,3-4,6-7,10-14H2,1H3,(H2,36,37,38,42)/t24-,26-
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n/an/a 124n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170110
PNG
(CHEMBL3806013)
Show SMILES COCCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C30H34F2N6O2/c1-37-9-11-38(12-10-37)24-5-6-25(28(19-24)33-8-3-13-40-2)30(39)34-29-26-17-20(4-7-27(26)35-36-29)14-21-15-22(31)18-23(32)16-21/h4-7,15-19,33H,3,8-14H2,1-2H3,(H2,34,35,36,39)
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n/an/a 135n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50170077
PNG
(CHEMBL3805214)
Show SMILES C[C@H](c1ccc2[nH]nc(NC(=O)c3ccc(cc3NC3CCOCC3)N3CCN(C)CC3)c2c1)c1cc(F)cc(F)c1
Show InChI InChI=1/C32H36F2N6O2/c1-20(22-15-23(33)18-24(34)16-22)21-3-6-29-28(17-21)31(38-37-29)36-32(41)27-5-4-26(40-11-9-39(2)10-12-40)19-30(27)35-25-7-13-42-14-8-25/h3-6,15-20,25,35H,7-14H2,1-2H3,(H2,36,37,38,41)/t20-/s2
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n/an/a 136n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 140n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 164n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50170080
PNG
(CHEMBL3805462)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)ccc4F)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-10-12-39(13-11-38)24-4-5-25(29(19-24)34-23-8-14-41-15-9-23)31(40)35-30-26-17-20(2-7-28(26)36-37-30)16-21-18-22(32)3-6-27(21)33/h2-7,17-19,23,34H,8-16H2,1H3,(H2,35,36,37,40)
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n/an/a 170n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IR (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50170108
PNG
(CHEMBL3806122)
Show SMILES CN1CCC(CC1)Oc1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C32H35F2N5O3/c1-39-10-6-25(7-11-39)42-26-3-4-27(30(19-26)35-24-8-12-41-13-9-24)32(40)36-31-28-17-20(2-5-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2-5,15-19,24-25,35H,6-14H2,1H3,(H2,36,37,38,40)
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n/an/a 181n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50170115
PNG
(CHEMBL3806045)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)ccc4C)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C32H37FN6O2/c1-21-3-5-24(33)19-23(21)17-22-4-8-29-28(18-22)31(37-36-29)35-32(40)27-7-6-26(39-13-11-38(2)12-14-39)20-30(27)34-25-9-15-41-16-10-25/h3-8,18-20,25,34H,9-17H2,1-2H3,(H2,35,36,37,40)
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n/an/a 181n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50170102
PNG
(CHEMBL3805123)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N[C@H]2CC[C@H](O)CC2)c1
Show InChI InChI=1/C32H36F2N6O2/c1-39-10-12-40(13-11-39)25-5-8-27(30(19-25)35-24-3-6-26(41)7-4-24)32(42)36-31-28-17-20(2-9-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2,5,8-9,15-19,24,26,35,41H,3-4,6-7,10-14H2,1H3,(H2,36,37,38,42)/t24-,26-
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n/an/a 189n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IR (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50170077
PNG
(CHEMBL3805214)
Show SMILES C[C@H](c1ccc2[nH]nc(NC(=O)c3ccc(cc3NC3CCOCC3)N3CCN(C)CC3)c2c1)c1cc(F)cc(F)c1
Show InChI InChI=1/C32H36F2N6O2/c1-20(22-15-23(33)18-24(34)16-22)21-3-6-29-28(17-21)31(38-37-29)36-32(41)27-5-4-26(40-11-9-39(2)10-12-40)19-30(27)35-25-7-13-42-14-8-25/h3-6,15-20,25,35H,7-14H2,1-2H3,(H2,36,37,38,41)/t20-/s2
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n/an/a 189n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IR (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 195n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of BRK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50170108
PNG
(CHEMBL3806122)
Show SMILES CN1CCC(CC1)Oc1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C32H35F2N5O3/c1-39-10-6-25(7-11-39)42-26-3-4-27(30(19-26)35-24-8-12-41-13-9-24)32(40)36-31-28-17-20(2-5-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2-5,15-19,24-25,35H,6-14H2,1H3,(H2,36,37,38,40)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IR (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50170079
PNG
(CHEMBL3805002)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cccc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H35FN6O2/c1-37-11-13-38(14-12-37)25-6-7-26(29(20-25)33-24-9-15-40-16-10-24)31(39)34-30-27-19-22(5-8-28(27)35-36-30)17-21-3-2-4-23(32)18-21/h2-8,18-20,24,33H,9-17H2,1H3,(H2,34,35,36,39)
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n/an/a 206n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50170104
PNG
(CHEMBL3805020)
Show SMILES CN1CCC(CC1)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C32H37F2N7O/c1-39-9-7-25(8-10-39)35-30-20-26(41-13-11-40(2)12-14-41)4-5-27(30)32(42)36-31-28-18-21(3-6-29(28)37-38-31)15-22-16-23(33)19-24(34)17-22/h3-6,16-20,25,35H,7-15H2,1-2H3,(H2,36,37,38,42)
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n/an/a 209n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IR (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
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