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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'chen' and Initial = 'sp'   
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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50178612
PNG
((S)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-N...)
Show SMILES CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1
Show InChI InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50178614
PNG
(CHEMBL205723 | N-(4-methyl-3-(4-(pyrimidin-5-yl)py...)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)CC1
Show InChI InChI=1S/C29H29F3N8O/c1-19-3-6-23(14-26(19)38-28-35-8-7-25(37-28)22-15-33-18-34-16-22)36-27(41)20-4-5-21(24(13-20)29(30,31)32)17-40-11-9-39(2)10-12-40/h3-8,13-16,18H,9-12,17H2,1-2H3,(H,36,41)(H,35,37,38)
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n/an/a 4n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50432861
PNG
(CHEMBL2376496)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2sc(cc12)C(=O)NC(C)(C)c1ccccc1
Show InChI InChI=1S/C27H30N6O2S/c1-27(2,19-7-5-4-6-8-19)29-25(35)22-17-21-23(30-31-26(21)36-22)28-24(34)18-9-11-20(12-10-18)33-15-13-32(3)14-16-33/h4-12,17H,13-16H2,1-3H3,(H,29,35)(H2,28,30,31,34)
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n/an/a 4.10n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50178615
PNG
(CHEMBL203343 | N-(4-methyl-3-(4-(pyridin-3-yl)pyri...)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C30H30F3N7O/c1-20-5-8-24(17-27(20)38-29-35-11-9-26(37-29)22-4-3-10-34-18-22)36-28(41)21-6-7-23(25(16-21)30(31,32)33)19-40-14-12-39(2)13-15-40/h3-11,16-18H,12-15,19H2,1-2H3,(H,36,41)(H,35,37,38)
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n/an/a 5n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50178611
PNG
(3-bromo-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2...)
Show SMILES CN1CCN(Cc2ccc(cc2Br)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H30BrN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35)
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n/an/a 7.10n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50432865
PNG
(CHEMBL203071)
Show SMILES CN1CCN(Cc2ccc(cc2I)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H30IN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35)
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n/an/a 10n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50432866
PNG
(CHEMBL382605)
Show SMILES CN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H30ClN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35)
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n/an/a 10n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50432864
PNG
(CHEMBL2376494)
Show SMILES CN(C)CC1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1
Show InChI InChI=1S/C31H33F3N8O/c1-20-4-7-25(13-28(20)40-30-37-10-8-27(39-30)24-14-35-19-36-15-24)38-29(43)22-5-6-23(26(12-22)31(32,33)34)18-42-11-9-21(17-42)16-41(2)3/h4-8,10,12-15,19,21H,9,11,16-18H2,1-3H3,(H,38,43)(H,37,39,40)
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n/an/a 11n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50432863
PNG
(CHEMBL206319)
Show SMILES CN(C)C1CN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncnc3)c2)C1
Show InChI InChI=1S/C29H29F3N8O/c1-18-4-7-22(11-26(18)38-28-35-9-8-25(37-28)21-12-33-17-34-13-21)36-27(41)19-5-6-20(24(10-19)29(30,31)32)14-40-15-23(16-40)39(2)3/h4-13,17,23H,14-16H2,1-3H3,(H,36,41)(H,35,37,38)
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n/an/a 17n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50432862
PNG
(CHEMBL2376495)
Show SMILES CC(C)(NC(=O)c1cc2c(NC(=O)c3ccc(CN4CCCCC4)cc3)[nH]nc2s1)c1ccccc1
Show InChI InChI=1S/C28H31N5O2S/c1-28(2,21-9-5-3-6-10-21)30-26(35)23-17-22-24(31-32-27(22)36-23)29-25(34)20-13-11-19(12-14-20)18-33-15-7-4-8-16-33/h3,5-6,9-14,17H,4,7-8,15-16,18H2,1-2H3,(H,30,35)(H2,29,31,32,34)
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n/an/a 21n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM12987
PNG
(5-Amido-pyrrolopyrazole 9f | CHEMBL384575 | N-{5-[...)
Show SMILES CO[C@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 38n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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n/an/a 50n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50178617
PNG
(3-fluoro-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-...)
Show SMILES CN1CCN(Cc2ccc(cc2F)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H30FN7O/c1-20-5-8-24(17-27(20)35-29-32-11-9-26(34-29)22-4-3-10-31-18-22)33-28(38)21-6-7-23(25(30)16-21)19-37-14-12-36(2)13-15-37/h3-11,16-18H,12-15,19H2,1-2H3,(H,33,38)(H,32,34,35)
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n/an/a 63n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM12107
PNG
(1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 15 | 4-(4...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1
Show InChI InChI=1S/C23H26N6O2S/c1-27-8-10-28(11-9-27)17-6-4-16(5-7-17)23(31)24-22-19-14-29(15-20(19)25-26-22)21(30)13-18-3-2-12-32-18/h2-7,12H,8-11,13-15H2,1H3,(H2,24,25,26,31)
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n/an/a 65n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50290422
PNG
(4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C28H29N7O/c1-34-14-16-35(17-15-34)20-21-7-9-22(10-8-21)27(36)31-24-5-2-6-25(18-24)32-28-30-13-11-26(33-28)23-4-3-12-29-19-23/h2-13,18-19H,14-17,20H2,1H3,(H,31,36)(H,30,32,33)
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n/an/a 100n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50290417
PNG
(2-Amino-pyrimidine, 19 | CHEMBL418270 | N-[3-(4-Py...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1cccnc1
Show InChI InChI=1S/C21H16N6O/c28-20(16-5-3-10-23-14-16)25-17-6-1-7-18(12-17)26-21-24-11-8-19(27-21)15-4-2-9-22-13-15/h1-14H,(H,25,28)(H,24,26,27)
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n/an/a 151n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a 200n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50432860
PNG
(CHEMBL2376633)
Show SMILES CCCCCCC(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C22H25N5O/c1-2-3-4-5-11-21(28)25-18-9-6-10-19(15-18)26-22-24-14-12-20(27-22)17-8-7-13-23-16-17/h6-10,12-16H,2-5,11H2,1H3,(H,25,28)(H,24,26,27)
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n/an/a 200n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50287091
PNG
(CHEMBL20252 | Naphthalene-2-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H21N5O/c1-18-8-11-23(30-26(33)21-10-9-19-5-2-3-6-20(19)15-21)16-25(18)32-27-29-14-12-24(31-27)22-7-4-13-28-17-22/h2-17H,1H3,(H,30,33)(H,29,31,32)
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n/an/a 200n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50290412
PNG
(4-Fluoro-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C22H16FN5O/c23-17-8-6-15(7-9-17)21(29)26-18-4-1-5-19(13-18)27-22-25-12-10-20(28-22)16-3-2-11-24-14-16/h1-14H,(H,26,29)(H,25,27,28)
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n/an/a 200n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50432859
PNG
(CHEMBL2376503)
Show SMILES Sc1ccccc1C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C22H17N5OS/c28-21(18-8-1-2-9-20(18)29)25-16-6-3-7-17(13-16)26-22-24-12-10-19(27-22)15-5-4-11-23-14-15/h1-14,29H,(H,25,28)(H,24,26,27)
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n/an/a 302n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50290416
PNG
(CHEMBL293991 | {4-[1-(3-Amino-propyl)-1H-indol-4-y...)
Show SMILES NCCCn1ccc2c(cccc12)-c1ccnc(Nc2cccc(OC(F)(F)C(F)F)c2)n1
Show InChI InChI=1S/C23H21F4N5O/c24-21(25)23(26,27)33-16-5-1-4-15(14-16)30-22-29-11-8-19(31-22)17-6-2-7-20-18(17)9-13-32(20)12-3-10-28/h1-2,4-9,11,13-14,21H,3,10,12,28H2,(H,29,30,31)
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n/an/a 347n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50290413
PNG
(CHEMBL55379 | [4-(1H-Indol-3-yl)-pyrimidin-2-yl]-[...)
Show SMILES FC(F)C(F)(F)Oc1cccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C20H14F4N4O/c21-18(22)20(23,24)29-13-5-3-4-12(10-13)27-19-25-9-8-17(28-19)15-11-26-16-7-2-1-6-14(15)16/h1-11,18,26H,(H,25,27,28)
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n/an/a 372n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50240407
PNG
(CHEMBL20926 | N-(4-methyl-3-(4-(pyridin-3-yl)pyrim...)
Show SMILES Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C23H19N5O/c1-16-9-10-19(26-22(29)17-6-3-2-4-7-17)14-21(16)28-23-25-13-11-20(27-23)18-8-5-12-24-15-18/h2-15H,1H3,(H,26,29)(H,25,27,28)
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n/an/a 398n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50432873
PNG
(CHEMBL2376502)
Show SMILES NCCCCNC(=O)c1cccc(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C20H22N6O/c21-9-1-2-11-23-19(27)15-5-3-7-17(13-15)25-20-24-12-8-18(26-20)16-6-4-10-22-14-16/h3-8,10,12-14H,1-2,9,11,21H2,(H,23,27)(H,24,25,26)
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n/an/a 398n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50175493
PNG
(CHEMBL277931 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yl...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccccc1
Show InChI InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
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n/an/a 398n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50290419
PNG
(CHEMBL58142 | Cyclohexanecarboxylic acid [3-(4-pyr...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)C1CCCCC1
Show InChI InChI=1S/C22H23N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h4-5,8-16H,1-3,6-7H2,(H,25,28)(H,24,26,27)
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n/an/a 447n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50290421
PNG
(CHEMBL55592 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yla...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccncc1
Show InChI InChI=1S/C21H16N6O/c28-20(15-6-10-22-11-7-15)25-17-4-1-5-18(13-17)26-21-24-12-8-19(27-21)16-3-2-9-23-14-16/h1-14H,(H,25,28)(H,24,26,27)
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n/an/a 501n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50155567
PNG
(1-(3-Dimethylamino-phenyl)-3-[4-methyl-3-(4-pyridi...)
Show SMILES CN(C)c1cccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Show InChI InChI=1S/C25H25N7O/c1-17-9-10-20(29-25(33)28-19-7-4-8-21(14-19)32(2)3)15-23(17)31-24-27-13-11-22(30-24)18-6-5-12-26-16-18/h4-16H,1-3H3,(H,27,30,31)(H2,28,29,33)
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n/an/a 575n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50277639
PNG
(CHEMBL484609 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C22H28N8OS/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,31)(H2,24,25,26,27,28)
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n/an/a 603n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50045408
PNG
(CHEMBL57443 | N-(4-Pyridin-4-yl-pyrimidin-2-yl)-be...)
Show SMILES Nc1cccc(Nc2nccc(n2)-c2ccncc2)c1
Show InChI InChI=1S/C15H13N5/c16-12-2-1-3-13(10-12)19-15-18-9-6-14(20-15)11-4-7-17-8-5-11/h1-10H,16H2,(H,18,19,20)
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n/an/a 603n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50045528
PNG
(CHEMBL57553 | N-(4-Pyridin-3-yl-pyrimidin-2-yl)-be...)
Show SMILES Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C15H13N5/c16-12-4-1-5-13(9-12)19-15-18-8-6-14(20-15)11-3-2-7-17-10-11/h1-10H,16H2,(H,18,19,20)
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n/an/a 708n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50155562
PNG
(1-[4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)...)
Show SMILES Cc1ccc(NC(=O)Nc2cccc(c2)N2CCCC2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C27H27N7O/c1-19-9-10-22(31-27(35)30-21-7-4-8-23(16-21)34-14-2-3-15-34)17-25(19)33-26-29-13-11-24(32-26)20-6-5-12-28-18-20/h4-13,16-18H,2-3,14-15H2,1H3,(H,29,32,33)(H2,30,31,35)
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n/an/a 724n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50287090
PNG
(4-Chloro-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C23H18ClN5O/c1-15-4-9-19(27-22(30)16-5-7-18(24)8-6-16)13-21(15)29-23-26-12-10-20(28-23)17-3-2-11-25-14-17/h2-14H,1H3,(H,27,30)(H,26,28,29)
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n/an/a 794n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50287096
PNG
(2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O2/c1-16-9-10-18(27-23(30)19-7-3-4-8-22(19)31-2)14-21(16)29-24-26-13-11-20(28-24)17-6-5-12-25-15-17/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a 794n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50155568
PNG
(1-(3-Diethylamino-phenyl)-3-[4-methyl-3-(4-pyridin...)
Show SMILES CCN(CC)c1cccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1
Show InChI InChI=1S/C27H29N7O/c1-4-34(5-2)23-10-6-9-21(16-23)30-27(35)31-22-12-11-19(3)25(17-22)33-26-29-15-13-24(32-26)20-8-7-14-28-18-20/h6-18H,4-5H2,1-3H3,(H,29,32,33)(H2,30,31,35)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50045526
PNG
(CHEMBL58436 | [3-(2-Imidazol-1-yl-ethoxy)-phenyl]-...)
Show SMILES C(Cn1ccnc1)Oc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C20H18N6O/c1-4-17(13-18(5-1)27-12-11-26-10-9-22-15-26)24-20-23-8-6-19(25-20)16-3-2-7-21-14-16/h1-10,13-15H,11-12H2,(H,23,24,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50432867
PNG
(CHEMBL2376497)
Show SMILES Cc1ccc(NC(=O)NCc2cccc(Cl)c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C24H21ClN6O/c1-16-7-8-20(29-24(32)28-14-17-4-2-6-19(25)12-17)13-22(16)31-23-27-11-9-21(30-23)18-5-3-10-26-15-18/h2-13,15H,14H2,1H3,(H,27,30,31)(H2,28,29,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50290430
PNG
(4-Methyl-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C23H19N5O/c1-16-7-9-17(10-8-16)22(29)26-19-5-2-6-20(14-19)27-23-25-13-11-21(28-23)18-4-3-12-24-15-18/h2-15H,1H3,(H,26,29)(H,25,27,28)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50290424
PNG
((3-Nitro-phenyl)-(4-pyridin-2-yl-pyrimidin-2-yl)-a...)
Show SMILES [O-][N+](=O)c1cccc(Nc2nccc(n2)-c2ccccn2)c1
Show InChI InChI=1S/C15H11N5O2/c21-20(22)12-5-3-4-11(10-12)18-15-17-9-7-14(19-15)13-6-1-2-8-16-13/h1-10H,(H,17,18,19)
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n/an/a 1.20E+3n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50290411
PNG
(4-Cyano-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H16N6O/c24-14-16-6-8-17(9-7-16)22(30)27-19-4-1-5-20(13-19)28-23-26-12-10-21(29-23)18-3-2-11-25-15-18/h1-13,15H,(H,27,30)(H,26,28,29)
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n/an/a 1.29E+3n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50045485
PNG
((3-Chloro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-...)
Show SMILES Clc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C15H11ClN4/c16-12-4-1-5-13(9-12)19-15-18-8-6-14(20-15)11-3-2-7-17-10-11/h1-10H,(H,18,19,20)
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n/an/a 1.51E+3n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50287097
PNG
(4-Methyl-N*3*-(4-pyridin-3-yl-pyrimidin-2-yl)-benz...)
Show SMILES Cc1ccc(N)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C16H15N5/c1-11-4-5-13(17)9-15(11)21-16-19-8-6-14(20-16)12-3-2-7-18-10-12/h2-10H,17H2,1H3,(H,19,20,21)
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n/an/a 1.51E+3n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50432872
PNG
(CHEMBL327907)
Show SMILES Cc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C16H14N4/c1-12-4-2-6-14(10-12)19-16-18-9-7-15(20-16)13-5-3-8-17-11-13/h2-11H,1H3,(H,18,19,20)
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n/an/a 1.82E+3n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50290429
PNG
(2-Methoxy-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino...)
Show SMILES COc1ccccc1C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C23H19N5O2/c1-30-21-10-3-2-9-19(21)22(29)26-17-7-4-8-18(14-17)27-23-25-13-11-20(28-23)16-6-5-12-24-15-16/h2-15H,1H3,(H,26,29)(H,25,27,28)
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n/an/a 1.91E+3n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50290414
PNG
(CHEMBL55742 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-yla...)
Show SMILES OC(=O)c1ccccc1C(=O)Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C23H17N5O3/c29-21(18-8-1-2-9-19(18)22(30)31)26-16-6-3-7-17(13-16)27-23-25-12-10-20(28-23)15-5-4-11-24-14-15/h1-14H,(H,26,29)(H,30,31)(H,25,27,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50132707
PNG
(4-3,3-dimethyltriaz-1-ene-N-[4-methyl-3-(4-pyridin...)
Show SMILES CN(C)\N=N\c1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C25H24N8O/c1-17-6-9-21(28-24(34)18-7-10-20(11-8-18)31-32-33(2)3)15-23(17)30-25-27-14-12-22(29-25)19-5-4-13-26-16-19/h4-16H,1-3H3,(H,28,34)(H,27,29,30)/b32-31+
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n/an/a 2.19E+3n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50215559
PNG
(4-(3,methylhydroxy3-methyltriaz-1-ene)-N-[4-methyl...)
Show SMILES CN(CO)N=Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C25H24N8O2/c1-17-5-8-21(28-24(35)18-6-9-20(10-7-18)31-32-33(2)16-34)14-23(17)30-25-27-13-11-22(29-25)19-4-3-12-26-15-19/h3-15,34H,16H2,1-2H3,(H,28,35)(H,27,29,30)
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n/an/a 3.16E+3n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50045481
PNG
((3-Imidazol-1-yl-phenyl)-(4-pyridin-3-yl-pyrimidin...)
Show SMILES N(c1cccc(c1)-n1ccnc1)c1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C18H14N6/c1-4-15(11-16(5-1)24-10-9-20-13-24)22-18-21-8-6-17(23-18)14-3-2-7-19-12-14/h1-13H,(H,21,22,23)
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n/an/a 3.31E+3n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
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