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Compile Data Set for Download or QSAR

Found 24 hits of ic50 for monomerid = 50377170   
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
Receptor-type tyrosine-protein kinase FLT3 [D835Y]


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 0.00900n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [D835Y]


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 0.00900n/an/an/an/an/an/a


TBA

Assay Description
Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control....


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 0.356n/an/an/an/an/an/a


TBA

Assay Description
Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control....


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 0.356n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a<0.5n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 0.996n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 0.996n/an/an/an/an/an/a


TBA

Assay Description
Table 7 For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phas...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 18: 3656-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.042
BindingDB Entry DOI: 10.7270/Q2JH3N2N
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 3.57n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 3.57n/an/an/an/an/an/a


TBA

Assay Description
Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control....


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control....


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
AlphaScreen SureFire STAT5 (pTyr694;Tyr699) Assay kit (Perkin Elmer). Assay was performed according to manufacturer protocol.


Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1NR2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 104n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 104n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 148n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 148n/an/an/an/an/an/a


TBA

Assay Description
Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control....


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 299n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 299n/an/an/an/an/an/a


TBA

Assay Description
Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control....


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 1.28E+3n/an/an/an/an/an/a


TBA

Assay Description
Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control....


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
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n/an/a 1.28E+3n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.94E+3n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.94E+3n/an/an/an/an/an/a


TBA

Assay Description
Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control....


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair
SRSF protein kinase 1


(Homo sapiens (Human))
BDBM50377170
PNG
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)
Show SMILES Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1
Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MW8
More data for this
Ligand-Target Pair