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BDBM50390444 CHEMBL2071457

SMILES: C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl

InChI Key: InChIKey=BWCCBKUPFRNBAM-LBPRGKRZSA-N

Data: 16 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 16 hits for monomerid = 50390444   
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem 21: 6804-20 (2013)


Article DOI: 10.1016/j.bmc.2013.07.032
BindingDB Entry DOI: 10.7270/Q27P90TV
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of c-Met incubated for 60 mins at spectrophotometry


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Mer


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of TYRO3


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Axl


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a 3.48E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a 8.16E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FLT1


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a 4.99E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ABL


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of RET


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a 6.18E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of EPHA2


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ERBB2


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ERBB4


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of c-Met incubated for 60 mins at spectrophotometry


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C22H22Cl2FN5O2/c1-12(19-17(23)2-3-18(25)20(19)24)29-22(31)16-8-13(9-27-21(16)26)14-10-28-30(11-14)15-4-6-32-7-5-15/h2-3,8-12,15H,4-7H2,1H3,(H2,26,27)(H,29,31)/t12-/m0/s1
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n/an/a 8.26E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Ron


Bioorg Med Chem 20: 5169-80 (2012)


Article DOI: 10.1016/j.bmc.2012.07.007
BindingDB Entry DOI: 10.7270/Q2WH2R32
More data for this
Ligand-Target Pair