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BDBM50310628 AB-460::CHEMBL1081509::N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)isoquinoline-3-carboxamide

SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1

InChI Key: InChIKey=YRUDYNCGPZHXRB-UHFFFAOYSA-N

Data: 1 IC50  9 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50310628   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50310628
PNG
(AB-460 | CHEMBL1081509 | N-(4-(3-(5-tert-butylisox...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1
Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)20-13-21(29-32-20)28-23(31)27-18-10-8-17(9-11-18)26-22(30)19-12-15-6-4-5-7-16(15)14-25-19/h4-14H,1-3H3,(H,26,30)(H2,27,28,29,31)
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n/an/an/a>200n/an/an/an/an/a



Ambit Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2


Bioorg Med Chem Lett 19: 5182-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.024
BindingDB Entry DOI: 10.7270/Q2PG1RVB
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50310628
PNG
(AB-460 | CHEMBL1081509 | N-(4-(3-(5-tert-butylisox...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1
Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)20-13-21(29-32-20)28-23(31)27-18-10-8-17(9-11-18)26-22(30)19-12-15-6-4-5-7-16(15)14-25-19/h4-14H,1-3H3,(H,26,30)(H2,27,28,29,31)
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n/an/an/a 1.10n/an/an/an/an/a



Ambit Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to FLT3


Bioorg Med Chem Lett 19: 5182-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.024
BindingDB Entry DOI: 10.7270/Q2PG1RVB
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50310628
PNG
(AB-460 | CHEMBL1081509 | N-(4-(3-(5-tert-butylisox...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1
Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)20-13-21(29-32-20)28-23(31)27-18-10-8-17(9-11-18)26-22(30)19-12-15-6-4-5-7-16(15)14-25-19/h4-14H,1-3H3,(H,26,30)(H2,27,28,29,31)
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n/an/an/a 1.80n/an/an/an/an/a



Ambit Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to KIT


Bioorg Med Chem Lett 19: 5182-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.024
BindingDB Entry DOI: 10.7270/Q2PG1RVB
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (Human))
BDBM50310628
PNG
(AB-460 | CHEMBL1081509 | N-(4-(3-(5-tert-butylisox...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1
Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)20-13-21(29-32-20)28-23(31)27-18-10-8-17(9-11-18)26-22(30)19-12-15-6-4-5-7-16(15)14-25-19/h4-14H,1-3H3,(H,26,30)(H2,27,28,29,31)
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n/an/an/a 8.5n/an/an/an/an/a



Ambit Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to CSF1R


Bioorg Med Chem Lett 19: 5182-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.024
BindingDB Entry DOI: 10.7270/Q2PG1RVB
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50310628
PNG
(AB-460 | CHEMBL1081509 | N-(4-(3-(5-tert-butylisox...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1
Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)20-13-21(29-32-20)28-23(31)27-18-10-8-17(9-11-18)26-22(30)19-12-15-6-4-5-7-16(15)14-25-19/h4-14H,1-3H3,(H,26,30)(H2,27,28,29,31)
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n/an/an/a 0.700n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to FLT3 expressed in HEK-293 cells after 1 hr


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50310628
PNG
(AB-460 | CHEMBL1081509 | N-(4-(3-(5-tert-butylisox...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1
Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)20-13-21(29-32-20)28-23(31)27-18-10-8-17(9-11-18)26-22(30)19-12-15-6-4-5-7-16(15)14-25-19/h4-14H,1-3H3,(H,26,30)(H2,27,28,29,31)
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n/an/an/a 9.90n/an/an/an/an/a



Ambit Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PDGFRalpha


Bioorg Med Chem Lett 19: 5182-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.024
BindingDB Entry DOI: 10.7270/Q2PG1RVB
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50310628
PNG
(AB-460 | CHEMBL1081509 | N-(4-(3-(5-tert-butylisox...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1
Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)20-13-21(29-32-20)28-23(31)27-18-10-8-17(9-11-18)26-22(30)19-12-15-6-4-5-7-16(15)14-25-19/h4-14H,1-3H3,(H,26,30)(H2,27,28,29,31)
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PubMed
n/an/an/a 7n/an/an/an/an/a



Ambit Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PDGFRbeta


Bioorg Med Chem Lett 19: 5182-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.024
BindingDB Entry DOI: 10.7270/Q2PG1RVB
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM50310628
PNG
(AB-460 | CHEMBL1081509 | N-(4-(3-(5-tert-butylisox...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1
Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)20-13-21(29-32-20)28-23(31)27-18-10-8-17(9-11-18)26-22(30)19-12-15-6-4-5-7-16(15)14-25-19/h4-14H,1-3H3,(H,26,30)(H2,27,28,29,31)
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n/an/a 53n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (Human))
BDBM50310628
PNG
(AB-460 | CHEMBL1081509 | N-(4-(3-(5-tert-butylisox...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1
Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)20-13-21(29-32-20)28-23(31)27-18-10-8-17(9-11-18)26-22(30)19-12-15-6-4-5-7-16(15)14-25-19/h4-14H,1-3H3,(H,26,30)(H2,27,28,29,31)
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PubMed
n/an/an/a 8.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to CSF1R expressed in HEK-293 cells after 1 hr


ACS Med Chem Lett 3: 997-1002 (2012)


Article DOI: 10.1021/ml300214g
BindingDB Entry DOI: 10.7270/Q22V2H9V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50310628
PNG
(AB-460 | CHEMBL1081509 | N-(4-(3-(5-tert-butylisox...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1
Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)20-13-21(29-32-20)28-23(31)27-18-10-8-17(9-11-18)26-22(30)19-12-15-6-4-5-7-16(15)14-25-19/h4-14H,1-3H3,(H,26,30)(H2,27,28,29,31)
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PubMed
n/an/an/a 7.30n/an/an/an/an/a



Ambit Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to RET


Bioorg Med Chem Lett 19: 5182-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.024
BindingDB Entry DOI: 10.7270/Q2PG1RVB
More data for this
Ligand-Target Pair