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Compile Data Set for Download or QSAR

Found 3345 hits Enz. Inhib. hit(s) with Target = 'Bcr/Abl fusion protein'   
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
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112421
PNG
(US8623889, 420)
Show SMILES Cc1c(F)cncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1
Show InChI InChI=1S/C19H15F2N3O/c1-10-15(8-22-9-17(10)21)12-3-2-11-5-18(23-7-13(11)4-12)24-19(25)14-6-16(14)20/h2-5,7-9,14,16H,6H2,1H3,(H,23,24,25)/t14-,16+/m1/s1
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US Patent
0.0186n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112359
PNG
(US8623889, 358)
Show SMILES Cc1ccc2[nH]ncc2c1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1
Show InChI InChI=1S/C20H16FN5O/c1-10-2-3-16-14(9-24-26-16)19(10)17-4-11-8-23-18(5-12(11)7-22-17)25-20(27)13-6-15(13)21/h2-5,7-9,13,15H,6H2,1H3,(H,24,26)(H,23,25,27)/t13-,15+/m1/s1
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US Patent
0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112312
PNG
(US8623889, 311)
Show SMILES Cc1cc(ncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C21H17F4N3O2/c1-10-4-17(19(29)21(23,24)25)26-9-15(10)12-3-2-11-6-18(27-8-13(11)5-12)28-20(30)14-7-16(14)22/h2-6,8-9,14,16,19,29H,7H2,1H3,(H,27,28,30)/t14?,16-,19-/m0/s1
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US Patent
0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112193
PNG
(US8623889, 191)
Show SMILES Cc1cc(CO)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C20H19N3O2/c1-12-6-17(11-24)21-10-18(12)15-5-4-14-8-19(22-9-16(14)7-15)23-20(25)13-2-3-13/h4-10,13,24H,2-3,11H2,1H3,(H,22,23,25)
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US Patent
0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112230
PNG
(US8623889, 228)
Show SMILES Cc1c(F)c(CO)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C20H18FN3O2/c1-11-16(9-22-17(10-25)19(11)21)14-5-4-13-7-18(23-8-15(13)6-14)24-20(26)12-2-3-12/h4-9,12,25H,2-3,10H2,1H3,(H,23,24,26)
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US Patent
0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM50378812
PNG
(CHEMBL1221411)
Show SMILES Cn1c2nc(Nc3cccc(NC(=O)CN)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C22H18Cl2N6O2/c1-30-20-12(8-15(21(30)32)19-16(23)6-3-7-17(19)24)11-26-22(29-20)28-14-5-2-4-13(9-14)27-18(31)10-25/h2-9,11H,10,25H2,1H3,(H,27,31)(H,26,28,29)
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0.0200n/an/an/an/an/an/an/an/a



Iowa State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Abl after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112066
PNG
(US8623889, 64)
Show SMILES Cc1ccc(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C20H18N2O2/c1-12-2-7-17(23)10-18(12)15-6-5-14-9-19(21-11-16(14)8-15)22-20(24)13-3-4-13/h2,5-11,13,23H,3-4H2,1H3,(H,21,22,24)
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US Patent
0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112111
PNG
(US8623889, 109)
Show SMILES Cc1ccncc1-c1ccc2cc(NC(=O)C3CC3F)ncc2c1
Show InChI InChI=1S/C19H16FN3O/c1-11-4-5-21-10-16(11)13-3-2-12-7-18(22-9-14(12)6-13)23-19(24)15-8-17(15)20/h2-7,9-10,15,17H,8H2,1H3,(H,22,23,24)
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US Patent
0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM50303233
PNG
(2-(3-aminophenylamino)-6-(2,6-dichlorophenyl)-8-me...)
Show SMILES Cn1c2nc(Nc3cccc(N)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C20H15Cl2N5O/c1-27-18-11(8-14(19(27)28)17-15(21)6-3-7-16(17)22)10-24-20(26-18)25-13-5-2-4-12(23)9-13/h2-10H,23H2,1H3,(H,24,25,26)
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0.0200n/an/an/an/an/an/an/an/a



Iowa State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Abl after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112161
PNG
(US8623889, 159)
Show SMILES Cc1c(F)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C19H16FN3O/c1-11-16(9-21-10-17(11)20)14-5-4-13-7-18(22-8-15(13)6-14)23-19(24)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,22,23,24)
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US Patent
0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112288
PNG
(US8623889, 286)
Show SMILES Cc1ccncc1-c1ccc2cc(NC(=O)C3C[C@H]3F)ncc2c1
Show InChI InChI=1S/C19H16FN3O/c1-11-4-5-21-10-16(11)13-3-2-12-7-18(22-9-14(12)6-13)23-19(24)15-8-17(15)20/h2-7,9-10,15,17H,8H2,1H3,(H,22,23,24)/t15?,17-/m1/s1
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US Patent
0.0300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112289
PNG
(US8623889, 287)
Show SMILES Cc1ccncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1
Show InChI InChI=1S/C19H16FN3O/c1-11-4-5-21-10-16(11)13-3-2-12-7-18(22-9-14(12)6-13)23-19(24)15-8-17(15)20/h2-7,9-10,15,17H,8H2,1H3,(H,22,23,24)/t15?,17-/m0/s1
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US Patent
0.0300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112251
PNG
(US8623889, 249)
Show SMILES Cc1ccc2[nH]ncc2c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C21H18N4O/c1-12-2-7-18-17(11-23-25-18)20(12)15-6-5-14-9-19(22-10-16(14)8-15)24-21(26)13-3-4-13/h2,5-11,13H,3-4H2,1H3,(H,23,25)(H,22,24,26)
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0.0300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112274
PNG
(US8623889, 272)
Show SMILES Cc1cc(ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C21H18F3N3O2/c1-11-6-17(19(28)21(22,23)24)25-10-16(11)14-5-4-13-8-18(26-9-15(13)7-14)27-20(29)12-2-3-12/h4-10,12,19,28H,2-3H2,1H3,(H,26,27,29)/t19-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112029
PNG
(US8623889, 27)
Show SMILES Cc1ccncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C19H17N3O/c1-12-6-7-20-11-17(12)15-5-4-14-9-18(21-10-16(14)8-15)22-19(23)13-2-3-13/h4-11,13H,2-3H2,1H3,(H,21,22,23)
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US Patent
0.0300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112099
PNG
(US8623889, 97)
Show SMILES Cc1c(O)cccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C20H18N2O2/c1-12-17(3-2-4-18(12)23)15-8-7-14-10-19(21-11-16(14)9-15)22-20(24)13-5-6-13/h2-4,7-11,13,23H,5-6H2,1H3,(H,21,22,24)
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0.0300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112105
PNG
(US8623889, 103)
Show SMILES Cc1cc(F)c(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C20H17FN2O2/c1-11-6-17(21)18(24)9-16(11)14-5-4-13-8-19(22-10-15(13)7-14)23-20(25)12-2-3-12/h4-10,12,24H,2-3H2,1H3,(H,22,23,25)
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0.0300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112106
PNG
(US8623889, 104)
Show SMILES Cc1ccc(CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C21H20N2O2/c1-13-2-3-14(12-24)8-19(13)17-7-6-16-10-20(22-11-18(16)9-17)23-21(25)15-4-5-15/h2-3,6-11,15,24H,4-5,12H2,1H3,(H,22,23,25)
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0.0300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112275
PNG
(US8623889, 273)
Show SMILES Cc1cc(ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C21H18F3N3O2/c1-11-6-17(19(28)21(22,23)24)25-10-16(11)14-5-4-13-8-18(26-9-15(13)7-14)27-20(29)12-2-3-12/h4-10,12,19,28H,2-3H2,1H3,(H,26,27,29)/t19-/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112252
PNG
(US8623889, 250)
Show SMILES Cc1ncc2[nH]ncc2c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C20H17N5O/c1-11-19(16-9-23-25-17(16)10-21-11)14-5-4-13-7-18(22-8-15(13)6-14)24-20(26)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,23,25)(H,22,24,26)
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0.0400n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112032
PNG
(US8623889, 30)
Show SMILES Oc1ccc(Cl)c(c1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C19H15ClN2O2/c20-17-6-5-15(23)9-16(17)13-4-3-12-8-18(21-10-14(12)7-13)22-19(24)11-1-2-11/h3-11,23H,1-2H2,(H,21,22,24)
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0.0400n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112144
PNG
(US8623889, 142)
Show SMILES O=C(Nc1cc2ccc(cc2cn1)-c1cccc2[nH]ncc12)C1CC1
Show InChI InChI=1S/C20H16N4O/c25-20(12-4-5-12)23-19-9-13-6-7-14(8-15(13)10-21-19)16-2-1-3-18-17(16)11-22-24-18/h1-3,6-12H,4-5H2,(H,22,24)(H,21,23,25)
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US Patent
0.0400n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112192
PNG
(US8623889, 190)
Show SMILES Cc1c(O)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C19H17N3O2/c1-11-16(9-20-10-17(11)23)14-5-4-13-7-18(21-8-15(13)6-14)22-19(24)12-2-3-12/h4-10,12,23H,2-3H2,1H3,(H,21,22,24)
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US Patent
0.0400n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112244
PNG
(US8623889, 242)
Show SMILES C[C@@H](O)c1cc(C)c(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C21H21N3O2/c1-12-7-19(13(2)25)22-11-18(12)16-6-5-15-9-20(23-10-17(15)8-16)24-21(26)14-3-4-14/h5-11,13-14,25H,3-4H2,1-2H3,(H,23,24,26)/t13-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112255
PNG
(US8623889, 253)
Show SMILES Cc1ccncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1
Show InChI InChI=1S/C19H16FN3O/c1-11-4-5-21-10-16(11)13-3-2-12-7-18(22-9-14(12)6-13)23-19(24)15-8-17(15)20/h2-7,9-10,15,17H,8H2,1H3,(H,22,23,24)/t15-,17+/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112245
PNG
(US8623889, 243)
Show SMILES C[C@H](O)c1cc(C)c(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C21H21N3O2/c1-12-7-19(13(2)25)22-11-18(12)16-6-5-15-9-20(23-10-17(15)8-16)24-21(26)14-3-4-14/h5-11,13-14,25H,3-4H2,1-2H3,(H,23,24,26)/t13-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112254
PNG
(US8623889, 252)
Show SMILES Cc1ccncc1-c1ccc2cc(NC(=O)[C@H]3C[C@H]3F)ncc2c1
Show InChI InChI=1S/C19H16FN3O/c1-11-4-5-21-10-16(11)13-3-2-12-7-18(22-9-14(12)6-13)23-19(24)15-8-17(15)20/h2-7,9-10,15,17H,8H2,1H3,(H,22,23,24)/t15-,17+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112078
PNG
(US8623889, 76)
Show SMILES Fc1ccc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c(c1)C#N
Show InChI InChI=1S/C20H14FN3O/c21-17-5-6-18(15(8-17)10-22)14-4-3-13-9-19(23-11-16(13)7-14)24-20(25)12-1-2-12/h3-9,11-12H,1-2H2,(H,23,24,25)
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0.0600n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM50221547
PNG
(4-chloro-3-(5-methyl-3-(4-(3-(pyrrolidin-1-yl)prop...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(CCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl
Show InChI InChI=1S/C27H28ClN5O/c1-18-15-20(23-17-22(34)10-11-24(23)28)16-25-26(18)30-27(32-31-25)29-21-8-6-19(7-9-21)5-4-14-33-12-2-3-13-33/h6-11,15-17,34H,2-5,12-14H2,1H3,(H,29,30,32)
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0.0620n/an/an/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Abl


Citation and Details
More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112288
PNG
(US8623889, 286)
Show SMILES Cc1ccncc1-c1ccc2cc(NC(=O)C3C[C@H]3F)ncc2c1
Show InChI InChI=1S/C19H16FN3O/c1-11-4-5-21-10-16(11)13-3-2-12-7-18(22-9-14(12)6-13)23-19(24)15-8-17(15)20/h2-7,9-10,15,17H,8H2,1H3,(H,22,23,24)/t15?,17-/m1/s1
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0.0700n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112157
PNG
(US8623889, 155)
Show SMILES Clc1ccncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C18H14ClN3O/c19-16-5-6-20-10-15(16)13-4-3-12-8-17(21-9-14(12)7-13)22-18(23)11-1-2-11/h3-11H,1-2H2,(H,21,22,23)
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0.0700n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112194
PNG
(US8623889, 192)
Show SMILES Cc1ccnc(CO)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C20H19N3O2/c1-12-6-7-21-17(11-24)19(12)15-5-4-14-9-18(22-10-16(14)8-15)23-20(25)13-2-3-13/h4-10,13,24H,2-3,11H2,1H3,(H,22,23,25)
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0.0700n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112289
PNG
(US8623889, 287)
Show SMILES Cc1ccncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1
Show InChI InChI=1S/C19H16FN3O/c1-11-4-5-21-10-16(11)13-3-2-12-7-18(22-9-14(12)6-13)23-19(24)15-8-17(15)20/h2-7,9-10,15,17H,8H2,1H3,(H,22,23,24)/t15?,17-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112065
PNG
(US8623889, 63)
Show SMILES Fc1cc(C#N)c(cc1F)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C20H13F2N3O/c21-17-6-14(9-23)16(8-18(17)22)13-4-3-12-7-19(24-10-15(12)5-13)25-20(26)11-1-2-11/h3-8,10-11H,1-2H2,(H,24,25,26)
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0.0700n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112379
PNG
(US8623889, 378)
Show SMILES Cc1cccc(F)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C20H17FN2O/c1-12-3-2-4-17(21)19(12)15-8-7-14-10-18(22-11-16(14)9-15)23-20(24)13-5-6-13/h2-4,7-11,13H,5-6H2,1H3,(H,22,23,24)
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0.0709n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112418
PNG
(US8623889, 417)
Show SMILES O=C(Nc1cc2ccc(cc2cn1)-c1cccc2[nH]nnc12)C1CC1
Show InChI InChI=1S/C19H15N5O/c25-19(11-4-5-11)21-17-9-12-6-7-13(8-14(12)10-20-17)15-2-1-3-16-18(15)23-24-22-16/h1-3,6-11H,4-5H2,(H,20,21,25)(H,22,23,24)
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0.0723n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112439
PNG
(US8623889, 438)
Show SMILES C[C@H]1CCC(=O)N1c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1
Show InChI InChI=1S/C18H18FN3O2/c1-10-2-5-17(23)22(10)13-4-3-11-7-16(20-9-12(11)6-13)21-18(24)14-8-15(14)19/h3-4,6-7,9-10,14-15H,2,5,8H2,1H3,(H,20,21,24)/t10-,14?,15-/m0/s1
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0.0799n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112438
PNG
(US8623889, 437)
Show SMILES C[C@@H]1CCC(=O)N1c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1
Show InChI InChI=1S/C18H18FN3O2/c1-10-2-5-17(23)22(10)13-4-3-11-7-16(20-9-12(11)6-13)21-18(24)14-8-15(14)19/h3-4,6-7,9-10,14-15H,2,5,8H2,1H3,(H,20,21,24)/t10-,14?,15+/m1/s1
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0.0799n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112330
PNG
(US8623889, 329)
Show SMILES Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C)n1
Show InChI InChI=1S/C20H18FN3O/c1-11-3-6-15(21)8-16(11)18-7-14-10-22-19(9-17(14)12(2)23-18)24-20(25)13-4-5-13/h3,6-10,13H,4-5H2,1-2H3,(H,22,24,25)
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0.0800n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112408
PNG
(US8623889, 407)
Show SMILES Cc1c(Cl)c(ncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C21H16ClF4N3O2/c1-9-14(8-28-18(17(9)22)19(30)21(24,25)26)11-3-2-10-5-16(27-7-12(10)4-11)29-20(31)13-6-15(13)23/h2-5,7-8,13,15,19,30H,6H2,1H3,(H,27,29,31)/t13?,15-,19+/m0/s1
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0.0841n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112409
PNG
(US8623889, 408)
Show SMILES Cc1c(Cl)c(ncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C21H16ClF4N3O2/c1-9-14(8-28-18(17(9)22)19(30)21(24,25)26)11-3-2-10-5-16(27-7-12(10)4-11)29-20(31)13-6-15(13)23/h2-5,7-8,13,15,19,30H,6H2,1H3,(H,27,29,31)/t13?,15-,19-/m0/s1
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0.0841n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112425
PNG
(US8623889, 424)
Show SMILES Cc1ccc[n+]([O-])c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C19H17N3O2/c1-12-3-2-8-22(24)18(12)15-7-6-14-10-17(20-11-16(14)9-15)21-19(23)13-4-5-13/h2-3,6-11,13H,4-5H2,1H3,(H,20,21,23)
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0.0896n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112244
PNG
(US8623889, 242)
Show SMILES C[C@@H](O)c1cc(C)c(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C21H21N3O2/c1-12-7-19(13(2)25)22-11-18(12)16-6-5-15-9-20(23-10-17(15)8-16)24-21(26)14-3-4-14/h5-11,13-14,25H,3-4H2,1-2H3,(H,23,24,26)/t13-/m1/s1
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US Patent
0.0900n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112245
PNG
(US8623889, 243)
Show SMILES C[C@H](O)c1cc(C)c(cn1)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C21H21N3O2/c1-12-7-19(13(2)25)22-11-18(12)16-6-5-15-9-20(23-10-17(15)8-16)24-21(26)14-3-4-14/h5-11,13-14,25H,3-4H2,1-2H3,(H,23,24,26)/t13-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112191
PNG
(US8623889, 189)
Show SMILES Cc1c(N)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C19H18N4O/c1-11-16(9-21-10-17(11)20)14-5-4-13-7-18(22-8-15(13)6-14)23-19(24)12-2-3-12/h4-10,12H,2-3,20H2,1H3,(H,22,23,24)
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US Patent
0.0900n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112057
PNG
(US8623889, 55)
Show SMILES Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1
Show InChI InChI=1S/C20H16F2N2O/c1-11-2-5-15(21)8-16(11)13-4-3-12-7-19(23-10-14(12)6-13)24-20(25)17-9-18(17)22/h2-8,10,17-18H,9H2,1H3,(H,23,24,25)/t17?,18-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112058
PNG
(US8623889, 56)
Show SMILES Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3C[C@H]3F)ncc2c1
Show InChI InChI=1S/C20H16F2N2O/c1-11-2-5-15(21)8-16(11)13-4-3-12-7-19(23-10-14(12)6-13)24-20(25)17-9-18(17)22/h2-8,10,17-18H,9H2,1H3,(H,23,24,25)/t17?,18-/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112107
PNG
(US8623889, 105)
Show SMILES Oc1cc(ccc1F)-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C19H15FN2O2/c20-16-6-5-13(8-17(16)23)12-3-4-14-9-18(21-10-15(14)7-12)22-19(24)11-1-2-11/h3-11,23H,1-2H2,(H,21,22,24)
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0.0900n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112224
PNG
(US8623889, 222)
Show SMILES Cc1ccc(NC(=O)N2CCCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C25H26N4O2/c1-16-4-9-21(27-25(31)29-10-2-3-11-29)14-22(16)19-8-7-18-13-23(26-15-20(18)12-19)28-24(30)17-5-6-17/h4,7-9,12-15,17H,2-3,5-6,10-11H2,1H3,(H,27,31)(H,26,28,30)
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0.0900n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
Bcr/Abl fusion protein


(Homo sapiens (Human))
BDBM112347
PNG
(US8623889, 346)
Show SMILES Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H20FN5O/c1-13-3-6-17(24)8-18(13)20-7-15-10-25-21(28-23(30)14-4-5-14)9-19(15)22(27-20)16-11-26-29(2)12-16/h3,6-12,14H,4-5H2,1-2H3,(H,25,28,30)
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0.100n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)

More data for this
Ligand-Target Pair
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