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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50048279   
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50211225
PNG
(CHEMBL3957831)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cncc(C)c3)c2)CC1
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n/an/a 6n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50211227
PNG
(CHEMBL3894450)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccncc3)c2)CC1
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n/an/a 7n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
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n/an/a 12n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human LCK cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET b...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50211224
PNG
(CHEMBL3962651)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccccn3)c2)CC1
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n/an/a 30n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
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n/an/a 46n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
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n/an/a 75n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
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n/an/a 80n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human PDGFR-beta cytoplasmic domain (558 to 1106 residues) expressed in baculovirus expression system measured a...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
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n/an/a 81n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant His-tagged human BLK cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET ...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
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n/an/a 116n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged DDR1 cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET based Z'Lyte assay


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(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 164n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50211225
PNG
(CHEMBL3957831)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cncc(C)c3)c2)CC1
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n/an/a 214n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
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 223n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
PDB
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n/an/a 227n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human CSF1R cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET based Z'Ly...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50211227
PNG
(CHEMBL3894450)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccncc3)c2)CC1
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n/an/a 256n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
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n/an/a 325n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human DDR2 cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET based Z'Lyt...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50211226
PNG
(CHEMBL3906886)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cnccc3C)c2)CC1
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n/an/a 336n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50211224
PNG
(CHEMBL3962651)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccccn3)c2)CC1
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n/an/a 644n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50211226
PNG
(CHEMBL3906886)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cnccc3C)c2)CC1
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n/an/a 7.25E+3n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair
BCR/ABL p210 fusion protein


(Homo sapiens (Human))
BDBM50211223
PNG
(CHEMBL3939150)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1
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n/an/an/an/a<100n/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 fusion protein autophosphorylation at Y245 in human K562 cells measured after 2 hrs by immunoblotting


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
More data for this
Ligand-Target Pair