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BDBM50166569 CHEMBL3798257

SMILES: CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl

InChI Key: InChIKey=IDTNHVSQAQYIPW-UHFFFAOYSA-N

Data: 15 IC50

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 15 hits for monomerid = 50166569   
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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50166569
PNG
(CHEMBL3798257)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
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n/an/a 17n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ERK2 expressed in Escherichia coli using ser/thr 3 Peptide as substrate preincubated for 1 hr measured aft...


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50166569
PNG
(CHEMBL3798257)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
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n/an/a 29n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged ERK1 expressed in Escherichia coli using ser/thr 3 Peptide as substrate preincubated for 1 hr measured aft...


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50166569
PNG
(CHEMBL3798257)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) by Z-LYTE assay


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50166569
PNG
(CHEMBL3798257)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by Z-LYTE assay


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50166569
PNG
(CHEMBL3798257)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLT1 (unknown origin) by Z-LYTE assay


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50166569
PNG
(CHEMBL3798257)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by Z-LYTE assay


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50166569
PNG
(CHEMBL3798257)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) by Z-LYTE assay


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50166569
PNG
(CHEMBL3798257)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin) by Z-LYTE assay


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50166569
PNG
(CHEMBL3798257)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) by Z-LYTE assay


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50166569
PNG
(CHEMBL3798257)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ERBB2 (unknown origin) by Z-LYTE assay


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50166569
PNG
(CHEMBL3798257)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin) by Z-LYTE assay


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2


(Homo sapiens (Human))
BDBM50166569
PNG
(CHEMBL3798257)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EPHA2 (unknown origin) by Z-LYTE assay


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50166569
PNG
(CHEMBL3798257)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) by Z-LYTE assay


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50166569
PNG
(CHEMBL3798257)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABL (unknown origin) by Z-LYTE assay


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50166569
PNG
(CHEMBL3798257)
Show SMILES CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Green Valley Research Institute

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) by Z-LYTE assay


Bioorg Med Chem Lett 26: 2600-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.029
BindingDB Entry DOI: 10.7270/Q2H99731
More data for this
Ligand-Target Pair