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Compile Data Set for Download or QSAR

Found 442 hits of kd for monomerid = 50309910   
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
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a 19n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for IKK-beta kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a 270n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK4CB kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a 500n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for TYK2(JH2domain-pseudokinase) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a 640n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CLK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a 1.00E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for IKK-alpha kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a 1.00E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CLK4 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a 2.10E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for DYRK1A kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a 2.30E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CLK2 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for EGFR(L858R,T790M) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL1(F317L)-phosphorylated kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MET(Y1235D) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for FLT4 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for EGFR(L861Q) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for EGFR(L858R) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for EPHA6 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for EGFR(G719C) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 11A


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDC2L2 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK4-cyclinD1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PRKCH kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL1(H396P)-phosphorylated kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
CAMK2B


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK2B kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
BR serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for BRSK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for EGFR(L747-T751del,Sins) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for RET(V804M) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL1(Q252H)-nonphosphorylated kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for KIT(V559D,T670I) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 3


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for IRAK3 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MST1R kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
TNNI3K


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for TNNI3K kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for KIT kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase c-TAK1


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MARK3 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for FGFR3(G697C) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MET kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL1(Y253F)-phosphorylated kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for FLT3(R834Q) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for FLT3(N841I) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CA(M1043I) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CA(E545A) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Ephrin type-A receptor 1 (EPHA1)


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for EPHA1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MYLK kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL1(Q252H)-phosphorylated kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL1-phosphorylated kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for RSK3(Kin.Dom.1-N-terminal) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for EGFR(S752-I759del) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL1(T315I)-phosphorylated kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CA(E542K) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for KIT(D816V) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CA(H1047Y) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for KIT(V559D) kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Misshapen-like kinase 1


(Homo sapiens (Human))
BDBM50309910
PNG
(CHEMBL608154 | ML-120B | N-(6-chloro-7-methoxy-9H-...)
Show SMILES COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Show InChI InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MINK kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
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