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Compile Data Set for Download or QSAR

Found 9 hits of affinity data for UniProtKB/TrEMBL: P11274   
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)
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 573n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


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


(Homo sapiens)
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 720n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


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


(Homo sapiens)
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



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


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


(Homo sapiens)
BDBM50155560
PNG
(1-(3-Chloro-phenyl)-3-[4-methyl-3-(4-pyridin-3-yl-...)
Show SMILES Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C23H19ClN6O/c1-15-7-8-19(28-23(31)27-18-6-2-5-17(24)12-18)13-21(15)30-22-26-11-9-20(29-22)16-4-3-10-25-14-16/h2-14H,1H3,(H,26,29,30)(H2,27,28,31)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


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


(Homo sapiens)
BDBM50155561
PNG
(4-Methyl-piperazine-1-carboxylic acid [4-methyl-3-...)
Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C22H25N7O/c1-16-5-6-18(25-22(30)29-12-10-28(2)11-13-29)14-20(16)27-21-24-9-7-19(26-21)17-4-3-8-23-15-17/h3-9,14-15H,10-13H2,1-2H3,(H,25,30)(H,24,26,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


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


(Homo sapiens)
BDBM50155575
PNG
(1-[4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)...)
Show SMILES Cc1ccc(NC(=O)NCCN2CCCC2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C23H27N7O/c1-17-6-7-19(27-23(31)26-11-14-30-12-2-3-13-30)15-21(17)29-22-25-10-8-20(28-22)18-5-4-9-24-16-18/h4-10,15-16H,2-3,11-14H2,1H3,(H,25,28,29)(H2,26,27,31)
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n/an/a>9.00E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


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


(Homo sapiens)
BDBM50155559
PNG
(1-(4-Dimethylamino-phenyl)-3-[4-methyl-3-(4-pyridi...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1
Show InChI InChI=1S/C25H25N7O/c1-17-6-7-20(29-25(33)28-19-8-10-21(11-9-19)32(2)3)15-23(17)31-24-27-14-12-22(30-24)18-5-4-13-26-16-18/h4-16H,1-3H3,(H,27,30,31)(H2,28,29,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


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


(Homo sapiens)
BDBM50155565
PNG
(CHEMBL185775 | Piperidine-1-carboxylic acid [4-met...)
Show SMILES Cc1ccc(NC(=O)N2CCCCC2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C22H24N6O/c1-16-7-8-18(25-22(29)28-12-3-2-4-13-28)14-20(16)27-21-24-11-9-19(26-21)17-6-5-10-23-15-17/h5-11,14-15H,2-4,12-13H2,1H3,(H,25,29)(H,24,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


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


(Homo sapiens)
BDBM50155557
PNG
(1-(4-Diethylamino-phenyl)-3-[4-methyl-3-(4-pyridin...)
Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1
Show InChI InChI=1S/C27H29N7O/c1-4-34(5-2)23-12-10-21(11-13-23)30-27(35)31-22-9-8-19(3)25(17-22)33-26-29-16-14-24(32-26)20-7-6-15-28-18-20/h6-18H,4-5H2,1-3H3,(H,29,32,33)(H2,30,31,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase


Citation and Details
More data for this
Ligand-Target Pair