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9 similar compounds to monomer 50322535

Compile data set for download or QSAR
Wt: 546.5
BDBM50322562
Wt: 562.5
BDBM50322563
Wt: 518.5
BDBM50322564
Wt: 518.5
BDBM50322565
Wt: 552.9
BDBM50322566
Wt: 536.5
BDBM50322567
Wt: 504.6
BDBM50322569
Wt: 420.3
BDBM50322570
Wt: 532.5
BDBM50427742

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50322562,50322563,50322564,50322565,50322566,50322567,50322569,50322570,50427742   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50322562
PNG
(CHEMBL1172004 | N-{4-[(4-Ethylpiperazin-1-yl)methy...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H29F3N6O/c1-3-37-13-15-38(16-14-37)20-24-8-10-25(18-27(24)30(31,32)33)36-29(40)23-7-6-21(2)22(17-23)9-11-26-19-34-28-5-4-12-35-39(26)28/h4-8,10,12,17-19H,3,13-16,20H2,1-2H3,(H,36,40)
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n/an/a 14n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of wild type human ABL after 1 hr by TR-FRET assay


J Med Chem 53: 4701-19 (2010)


Article DOI: 10.1021/jm100395q
BindingDB Entry DOI: 10.7270/Q27P8ZKX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50322563
PNG
(CHEMBL1171432 | N-{4-[(4-(2-Hydroxyethyl)piperazin...)
Show SMILES Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CCO)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C30H29F3N6O2/c1-21-4-5-23(17-22(21)7-9-26-19-34-28-3-2-10-35-39(26)28)29(41)36-25-8-6-24(27(18-25)30(31,32)33)20-38-13-11-37(12-14-38)15-16-40/h2-6,8,10,17-19,40H,11-16,20H2,1H3,(H,36,41)
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n/an/a 12n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of wild type human ABL after 1 hr by TR-FRET assay


J Med Chem 53: 4701-19 (2010)


Article DOI: 10.1021/jm100395q
BindingDB Entry DOI: 10.7270/Q27P8ZKX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50322564
PNG
(3-[2-(Imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-meth...)
Show SMILES Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H25F3N6O/c1-19-4-5-21(15-20(19)7-9-24-17-33-26-3-2-10-34-37(24)26)27(38)35-23-8-6-22(25(16-23)28(29,30)31)18-36-13-11-32-12-14-36/h2-6,8,10,15-17,32H,11-14,18H2,1H3,(H,35,38)
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n/an/a 2.30n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of wild type human ABL after 1 hr by TR-FRET assay


J Med Chem 53: 4701-19 (2010)


Article DOI: 10.1021/jm100395q
BindingDB Entry DOI: 10.7270/Q27P8ZKX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50322565
PNG
(3-[2-(Imidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-{4-[...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cccc(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H25F3N6O/c1-35-12-14-36(15-13-35)19-22-8-9-23(17-25(22)28(29,30)31)34-27(38)21-5-2-4-20(16-21)7-10-24-18-32-26-6-3-11-33-37(24)26/h2-6,8-9,11,16-18H,12-15,19H2,1H3,(H,34,38)
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n/an/a 31n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of wild type human ABL after 1 hr by TR-FRET assay


J Med Chem 53: 4701-19 (2010)


Article DOI: 10.1021/jm100395q
BindingDB Entry DOI: 10.7270/Q27P8ZKX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50322566
PNG
(4-Chloro-3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethyny...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H24ClF3N6O/c1-36-11-13-37(14-12-36)18-21-4-7-22(16-24(21)28(30,31)32)35-27(39)20-6-9-25(29)19(15-20)5-8-23-17-33-26-3-2-10-34-38(23)26/h2-4,6-7,9-10,15-17H,11-14,18H2,1H3,(H,35,39)
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n/an/a 41n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of wild type human ABL after 1 hr by TR-FRET assay


J Med Chem 53: 4701-19 (2010)


Article DOI: 10.1021/jm100395q
BindingDB Entry DOI: 10.7270/Q27P8ZKX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427742
PNG
(CHEMBL2324930)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-9-24(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)35-28(39)22-6-7-23(26(17-22)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 45n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50322569
PNG
(CHEMBL1172719 | N-{3-Cyclopropyl-4-[(4-methylpiper...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C2CC2)CC1
Show InChI InChI=1S/C31H32N6O/c1-22-5-6-25(18-24(22)10-12-28-20-32-30-4-3-13-33-37(28)30)31(38)34-27-11-9-26(29(19-27)23-7-8-23)21-36-16-14-35(2)15-17-36/h3-6,9,11,13,18-20,23H,7-8,14-17,21H2,1-2H3,(H,34,38)
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n/an/a 5.30n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of wild type human ABL after 1 hr by TR-FRET assay


J Med Chem 53: 4701-19 (2010)


Article DOI: 10.1021/jm100395q
BindingDB Entry DOI: 10.7270/Q27P8ZKX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50322570
PNG
(3-[2-(Imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-meth...)
Show SMILES Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H15F3N4O/c1-15-7-8-17(22(31)29-19-5-2-4-18(13-19)23(24,25)26)12-16(15)9-10-20-14-27-21-6-3-11-28-30(20)21/h2-8,11-14H,1H3,(H,29,31)
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n/an/a 19n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of wild type human ABL after 1 hr by TR-FRET assay


J Med Chem 53: 4701-19 (2010)


Article DOI: 10.1021/jm100395q
BindingDB Entry DOI: 10.7270/Q27P8ZKX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427742
PNG
(CHEMBL2324930)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-9-24(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)35-28(39)22-6-7-23(26(17-22)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 8n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50427742
PNG
(CHEMBL2324930)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-9-24(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)35-28(39)22-6-7-23(26(17-22)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 15n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50427742
PNG
(CHEMBL2324930)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)C#Cc2cnc3cccnn23)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-9-24(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)35-28(39)22-6-7-23(26(17-22)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 39n/an/an/an/an/an/a



Cyclofluidic Ltd

Curated by ChEMBL


Assay Description
Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 ...


J Med Chem 56: 3033-47 (2013)


Article DOI: 10.1021/jm400099d
BindingDB Entry DOI: 10.7270/Q24T6KPD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50322567
PNG
(4-Fluoro-3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethyny...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H24F4N6O/c1-36-11-13-37(14-12-36)18-21-4-7-22(16-24(21)28(30,31)32)35-27(39)20-6-9-25(29)19(15-20)5-8-23-17-33-26-3-2-10-34-38(23)26/h2-4,6-7,9-10,15-17H,11-14,18H2,1H3,(H,35,39)
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n/an/a 42n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of wild type human ABL after 1 hr by TR-FRET assay


J Med Chem 53: 4701-19 (2010)


Article DOI: 10.1021/jm100395q
BindingDB Entry DOI: 10.7270/Q27P8ZKX
More data for this
Ligand-Target Pair