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PubMed code 22863529

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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Article
PubMed
n/an/a 1.60n/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
3D
3D Structure (crystal)
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
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
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
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390441
PNG
(CHEMBL2071452)
Show SMILES CC(NC(=O)c1cc(cnc1N)-c1ccc2NC(=O)Cc2c1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C22H17Cl2FN4O2/c1-10(19-15(23)3-4-16(25)20(19)24)28-22(31)14-7-13(9-27-21(14)26)11-2-5-17-12(6-11)8-18(30)29-17/h2-7,9-10H,8H2,1H3,(H2,26,27)(H,28,31)(H,29,30)
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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 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
Proto-oncogene tyrosine-protein kinase receptor Re


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390454
PNG
(CHEMBL2071448)
Show SMILES CC(NC(=O)c1cc(cnc1N)-c1cnn(C)c1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C18H16Cl2FN5O/c1-9(15-13(19)3-4-14(21)16(15)20)25-18(27)12-5-10(6-23-17(12)22)11-7-24-26(2)8-11/h3-9H,1-2H3,(H2,22,23)(H,25,27)
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n/an/a 280n/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390455
PNG
(CHEMBL2071449)
Show SMILES CC(NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C22H23Cl2FN6O/c1-12(19-17(23)2-3-18(25)20(19)24)30-22(32)16-8-13(9-28-21(16)26)14-10-29-31(11-14)15-4-6-27-7-5-15/h2-3,8-12,15,27H,4-7H2,1H3,(H2,26,28)(H,30,32)
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n/an/a 320n/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390443
PNG
(CHEMBL2071454)
Show SMILES CC(NC(=O)c1cc(cnc1N)-c1ccc(OCC(=O)N2CCOCC2)cc1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C26H25Cl2FN4O4/c1-15(23-20(27)6-7-21(29)24(23)28)32-26(35)19-12-17(13-31-25(19)30)16-2-4-18(5-3-16)37-14-22(34)33-8-10-36-11-9-33/h2-7,12-13,15H,8-11,14H2,1H3,(H2,30,31)(H,32,35)
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n/an/a 340n/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390452
PNG
(CHEMBL2071392)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NCc1c(F)ccc(F)c1Cl
Show InChI InChI=1S/C17H14ClF2N5O/c1-25-8-10(6-24-25)9-4-11(16(21)22-5-9)17(26)23-7-12-13(19)2-3-14(20)15(12)18/h2-6,8H,7H2,1H3,(H2,21,22)(H,23,26)
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n/an/a 410n/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390449
PNG
(CHEMBL2071389)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NCc1ccc(F)c(F)c1
Show InChI InChI=1S/C17H15F2N5O/c1-24-9-12(8-23-24)11-5-13(16(20)21-7-11)17(25)22-6-10-2-3-14(18)15(19)4-10/h2-5,7-9H,6H2,1H3,(H2,20,21)(H,22,25)
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n/an/a 480n/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390456
PNG
(CHEMBL2071451)
Show SMILES CC(NC(=O)c1cc(cnc1N)-c1ccc(nc1)N1CCOCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C23H22Cl2FN5O2/c1-13(20-17(24)3-4-18(26)21(20)25)30-23(32)16-10-15(12-29-22(16)27)14-2-5-19(28-11-14)31-6-8-33-9-7-31/h2-5,10-13H,6-9H2,1H3,(H2,27,29)(H,30,32)
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n/an/a 510n/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390453
PNG
(CHEMBL2071393)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NCc1c(F)ccc(Cl)c1Cl
Show InChI InChI=1S/C17H14Cl2FN5O/c1-25-8-10(6-24-25)9-4-11(16(21)22-5-9)17(26)23-7-12-14(20)3-2-13(18)15(12)19/h2-6,8H,7H2,1H3,(H2,21,22)(H,23,26)
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n/an/a 560n/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390447
PNG
(CHEMBL2071387)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NCc1cc(F)ccc1F
Show InChI InChI=1S/C17H15F2N5O/c1-24-9-12(8-23-24)10-5-14(16(20)21-6-10)17(25)22-7-11-4-13(18)2-3-15(11)19/h2-6,8-9H,7H2,1H3,(H2,20,21)(H,22,25)
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n/an/a 600n/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390442
PNG
(CHEMBL2071453)
Show SMILES CC(NC(=O)c1cc(cnc1N)-c1cncnc1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C18H14Cl2FN5O/c1-9(15-13(19)2-3-14(21)16(15)20)26-18(27)12-4-10(7-25-17(12)22)11-5-23-8-24-6-11/h2-9H,1H3,(H2,22,25)(H,26,27)
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n/an/a 1.14E+3n/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390451
PNG
(CHEMBL2071391)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NCc1c(F)ccc(Cl)c1F
Show InChI InChI=1S/C17H14ClF2N5O/c1-25-8-10(6-24-25)9-4-11(16(21)22-5-9)17(26)23-7-12-14(19)3-2-13(18)15(12)20/h2-6,8H,7H2,1H3,(H2,21,22)(H,23,26)
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n/an/a 1.14E+3n/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390445
PNG
(CHEMBL2071385)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NCc1cccc(F)c1F
Show InChI InChI=1S/C17H15F2N5O/c1-24-9-12(8-23-24)11-5-13(16(20)21-7-11)17(25)22-6-10-3-2-4-14(18)15(10)19/h2-5,7-9H,6H2,1H3,(H2,20,21)(H,22,25)
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n/an/a 1.20E+3n/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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390450
PNG
(CHEMBL2071390)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NCc1c(F)cccc1Cl
Show InChI InChI=1S/C17H15ClFN5O/c1-24-9-11(7-23-24)10-5-12(16(20)21-6-10)17(25)22-8-13-14(18)3-2-4-15(13)19/h2-7,9H,8H2,1H3,(H2,20,21)(H,22,25)
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n/an/a 1.30E+3n/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
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
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390448
PNG
(CHEMBL2071388)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NCc1cc(F)cc(F)c1
Show InChI InChI=1S/C17H15F2N5O/c1-24-9-12(8-23-24)11-4-15(16(20)21-7-11)17(25)22-6-10-2-13(18)5-14(19)3-10/h2-5,7-9H,6H2,1H3,(H2,20,21)(H,22,25)
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n/an/a 4.11E+3n/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 ABL1


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl
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
Ephrin receptor


(Homo sapiens)
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50390446
PNG
(CHEMBL2071386)
Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C17H15F2N5O/c1-24-9-12(8-23-24)11-4-14(16(20)21-7-11)17(25)22-6-10-2-3-13(18)5-15(10)19/h2-5,7-9H,6H2,1H3,(H2,20,21)(H,22,25)
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n/an/a 7.00E+3n/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
Vascular endothelial 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
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
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
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
AXL receptor tyrosine kinase


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl
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
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
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
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
Receptor tyrosine-protein kinase erbB-4 (HER4)


(Homo sapiens (Human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl
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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl
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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50390444
PNG
(CHEMBL2071457)
Show SMILES C[C@H](NC(=O)c1cc(cnc1N)-c1cnn(c1)C1CCOCC1)c1c(Cl)ccc(F)c1Cl
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
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
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
* indicates data uncertainty>20%