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PubMed code 23379595

Compile data set for download or QSAR
Found 55 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))
BDBM50427138
PNG
(CHEMBL2323775 | MK-8033)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427155
PNG
(CHEMBL2323770)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4cccnn4)cc3c(=O)c2c1
Show InChI InChI=1S/C24H20N6O3S/c1-30-14-19(12-27-30)18-10-22-23(25-11-18)7-6-17-5-4-16(9-21(17)24(22)31)15-34(32,33)28-13-20-3-2-8-26-29-20/h2-12,14,28H,13,15H2,1H3
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Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427143
PNG
(CHEMBL2323783)
Show SMILES O=c1c2cc(CS(=O)(=O)NCc3ccccn3)ccc2ccc2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C29H28N6O3S/c36-29-26-13-20(19-39(37,38)34-17-24-3-1-2-10-31-24)4-5-21(26)6-7-28-27(29)14-22(15-32-28)23-16-33-35(18-23)25-8-11-30-12-9-25/h1-7,10,13-16,18,25,30,34H,8-9,11-12,17,19H2
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n/an/a 1n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427172
PNG
(CHEMBL2323777)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4cccc[n+]4[O-])cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O4S/c1-29-15-20(13-27-29)19-11-23-24(26-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-35(33,34)28-14-21-4-2-3-9-30(21)32/h2-13,15,28H,14,16H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347659
PNG
(CHEMBL1802916 | MK-2461)
Show SMILES CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427154
PNG
(CHEMBL2323771)
Show SMILES Cc1nccc(CNS(=O)(=O)Cc2ccc3ccc4ncc(cc4c(=O)c3c2)-c2cnn(C)c2)n1
Show InChI InChI=1S/C25H22N6O3S/c1-16-26-8-7-21(30-16)13-29-35(33,34)15-17-3-4-18-5-6-24-23(25(32)22(18)9-17)10-19(11-27-24)20-12-28-31(2)14-20/h3-12,14,29H,13,15H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347658
PNG
(CHEMBL1802917)
Show SMILES CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(c1)C1CCNCC1 |r|
Show InChI InChI=1S/C28H32N6O5S/c1-33(17-24-18-38-10-11-39-24)40(36,37)32-22-4-2-19-3-5-27-26(28(35)25(19)13-22)12-20(14-30-27)21-15-31-34(16-21)23-6-8-29-9-7-23/h2-5,12-16,23-24,29,32H,6-11,17-18H2,1H3/t24-/m1/s1
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Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427153
PNG
(CHEMBL2323772)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4cnsc4)cc3c(=O)c2c1
Show InChI InChI=1S/C23H19N5O3S2/c1-28-12-19(11-25-28)18-7-21-22(24-10-18)5-4-17-3-2-15(6-20(17)23(21)29)14-33(30,31)27-9-16-8-26-32-13-16/h2-8,10-13,27H,9,14H2,1H3
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Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427151
PNG
(CHEMBL2323774)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccncc4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O3S/c1-30-15-21(14-28-30)20-11-23-24(27-13-20)5-4-19-3-2-18(10-22(19)25(23)31)16-34(32,33)29-12-17-6-8-26-9-7-17/h2-11,13-15,29H,12,16H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347681
PNG
(CHEMBL1802829)
Show SMILES CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C20H19N5O3S/c1-24(2)29(27,28)23-16-6-4-13-5-7-19-18(20(26)17(13)9-16)8-14(10-21-19)15-11-22-25(3)12-15/h4-12,23H,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427156
PNG
(CHEMBL2323769)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccc4Cl)cc3c(=O)c2c1
Show InChI InChI=1S/C26H21ClN4O3S/c1-31-15-21(13-29-31)20-11-23-25(28-12-20)9-8-18-7-6-17(10-22(18)26(23)32)16-35(33,34)30-14-19-4-2-3-5-24(19)27/h2-13,15,30H,14,16H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427157
PNG
(CHEMBL2324128)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccc(F)cc4F)cc3c(=O)c2c1
Show InChI InChI=1S/C26H20F2N4O3S/c1-32-14-20(12-30-32)19-9-23-25(29-11-19)7-5-17-3-2-16(8-22(17)26(23)33)15-36(34,35)31-13-18-4-6-21(27)10-24(18)28/h2-12,14,31H,13,15H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50347681
PNG
(CHEMBL1802829)
Show SMILES CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C20H19N5O3S/c1-24(2)29(27,28)23-16-6-4-13-5-7-19-18(20(26)17(13)9-16)8-14(10-21-19)15-11-22-25(3)12-15/h4-12,23H,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of RON (unknown origin) by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50427138
PNG
(CHEMBL2323775 | MK-8033)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of RON (unknown origin) by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427144
PNG
(CHEMBL2323782)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NC4CCCCC4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H26N4O3S/c1-29-15-20(14-27-29)19-12-23-24(26-13-19)10-9-18-8-7-17(11-22(18)25(23)30)16-33(31,32)28-21-5-3-2-4-6-21/h7-15,21,28H,2-6,16H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427152
PNG
(CHEMBL2323773)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4cccnc4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O3S/c1-30-15-21(14-28-30)20-10-23-24(27-13-20)7-6-19-5-4-17(9-22(19)25(23)31)16-34(32,33)29-12-18-3-2-8-26-11-18/h2-11,13-15,29H,12,16H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427145
PNG
(CHEMBL2323781)
Show SMILES CN(c1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1)S(=O)(=O)NCc1ccccn1
Show InChI InChI=1S/C25H22N6O3S/c1-30-16-19(14-28-30)18-11-23-24(27-13-18)9-7-17-6-8-21(12-22(17)25(23)32)31(2)35(33,34)29-15-20-5-3-4-10-26-20/h3-14,16,29H,15H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427159
PNG
(CHEMBL2324126)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccc4)cc3c(=O)c2c1
Show InChI InChI=1S/C26H22N4O3S/c1-30-16-22(15-28-30)21-12-24-25(27-14-21)10-9-20-8-7-19(11-23(20)26(24)31)17-34(32,33)29-13-18-5-3-2-4-6-18/h2-12,14-16,29H,13,17H2,1H3
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Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427161
PNG
(CHEMBL2324124)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)N[C@@H]4CCCC[C@H]4N)cc3c(=O)c2c1 |r|
Show InChI InChI=1S/C25H27N5O3S/c1-30-14-19(13-28-30)18-11-21-23(27-12-18)9-8-17-7-6-16(10-20(17)25(21)31)15-34(32,33)29-24-5-3-2-4-22(24)26/h6-14,22,24,29H,2-5,15,26H2,1H3/t22-,24-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427138
PNG
(CHEMBL2323775 | MK-8033)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3
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n/an/a 29n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of HGF-stimulated c-MET (unknown origin) autophosphorylation at tyrosine 1349 expressed in human GTL16 cells after 2 hrs by Western blotti...


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427139
PNG
(CHEMBL2324117)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(cc3c(=O)c2c1)C(O)C(N)=O
Show InChI InChI=1S/C20H16N4O3/c1-24-10-14(9-23-24)13-7-16-17(22-8-13)5-4-11-2-3-12(18(25)20(21)27)6-15(11)19(16)26/h2-10,18,25H,1H3,(H2,21,27)
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n/an/a 32n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427160
PNG
(CHEMBL2324125)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)Nc4ccccc4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H20N4O3S/c1-29-15-20(14-27-29)19-12-23-24(26-13-19)10-9-18-8-7-17(11-22(18)25(23)30)16-33(31,32)28-21-5-3-2-4-6-21/h2-15,28H,16H2,1H3
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n/an/a 33n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427164
PNG
(CHEMBL2324121)
Show SMILES CCCNS(=O)(=O)Cc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C22H22N4O3S/c1-3-8-25-30(28,29)14-15-4-5-16-6-7-21-20(22(27)19(16)9-15)10-17(11-23-21)18-12-24-26(2)13-18/h4-7,9-13,25H,3,8,14H2,1-2H3
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n/an/a 42n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427163
PNG
(CHEMBL2324122)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCC4COCCO4)cc3c(=O)c2c1
Show InChI InChI=1S/C24H24N4O5S/c1-28-13-19(11-26-28)18-9-22-23(25-10-18)5-4-17-3-2-16(8-21(17)24(22)29)15-34(30,31)27-12-20-14-32-6-7-33-20/h2-5,8-11,13,20,27H,6-7,12,14-15H2,1H3
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n/an/a 45n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427158
PNG
(CHEMBL2324127)
Show SMILES CC(NS(=O)(=O)Cc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1)c1ccccc1
Show InChI InChI=1S/C27H24N4O3S/c1-18(20-6-4-3-5-7-20)30-35(33,34)17-19-8-9-21-10-11-26-25(27(32)24(21)12-19)13-22(14-28-26)23-15-29-31(2)16-23/h3-16,18,30H,17H2,1-2H3
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n/an/a 52n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427162
PNG
(CHEMBL2324123)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)N[C@@H]4CCCC[C@@H]4N)cc3c(=O)c2c1 |r|
Show InChI InChI=1S/C25H27N5O3S/c1-30-14-19(13-28-30)18-11-21-23(27-12-18)9-8-17-7-6-16(10-20(17)25(21)31)15-34(32,33)29-24-5-3-2-4-22(24)26/h6-14,22,24,29H,2-5,15,26H2,1H3/t22-,24+/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427170
PNG
(CHEMBL2323779)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCCc4ccccn4)cc3c(=O)c2c1
Show InChI InChI=1S/C26H23N5O3S/c1-31-16-21(15-29-31)20-13-24-25(28-14-20)8-7-19-6-5-18(12-23(19)26(24)32)17-35(33,34)30-11-9-22-4-2-3-10-27-22/h2-8,10,12-16,30H,9,11,17H2,1H3
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n/an/a 55n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427142
PNG
(CHEMBL2324129)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CC(N)=O)cc3c(=O)c2c1
Show InChI InChI=1S/C20H16N4O2/c1-24-11-15(10-23-24)14-8-17-18(22-9-14)5-4-13-3-2-12(7-19(21)25)6-16(13)20(17)26/h2-6,8-11H,7H2,1H3,(H2,21,25)
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n/an/a 60n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427171
PNG
(CHEMBL2323778)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCC4CCCCN4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H27N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h5-8,10-13,15,21,26,29H,2-4,9,14,16H2,1H3
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n/an/a 67n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427140
PNG
(CHEMBL2324116)
Show SMILES CC(C(N)=O)c1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C21H18N4O2/c1-12(21(22)27)14-4-3-13-5-6-19-18(20(26)17(13)7-14)8-15(9-23-19)16-10-24-25(2)11-16/h3-12H,1-2H3,(H2,22,27)
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n/an/a 70n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347681
PNG
(CHEMBL1802829)
Show SMILES CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C20H19N5O3S/c1-24(2)29(27,28)23-16-6-4-13-5-7-19-18(20(26)17(13)9-16)8-14(10-21-19)15-11-22-25(3)12-15/h4-12,23H,1-3H3
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n/an/a 80n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of HGF-stimulated c-MET (unknown origin) autophosphorylation at tyrosine 1349 expressed in human GTL16 cells after 2 hrs by Western blotti...


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347657
PNG
(CHEMBL1615181)
Show SMILES O=C(CCc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(c1)C1CCNCC1)NCc1ccccn1
Show InChI InChI=1S/C31H30N6O2/c38-30(35-19-25-3-1-2-12-33-25)9-5-21-4-6-22-7-8-29-28(31(39)27(22)15-21)16-23(17-34-29)24-18-36-37(20-24)26-10-13-32-14-11-26/h1-4,6-8,12,15-18,20,26,32H,5,9-11,13-14,19H2,(H,35,38)
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n/an/a 85n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427141
PNG
(CHEMBL2324113)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CC(=O)NCc4ccccc4)cc3c(=O)c2c1
Show InChI InChI=1S/C27H22N4O2/c1-31-17-22(16-30-31)21-13-24-25(28-15-21)10-9-20-8-7-19(11-23(20)27(24)33)12-26(32)29-14-18-5-3-2-4-6-18/h2-11,13,15-17H,12,14H2,1H3,(H,29,32)
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n/an/a 94n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427167
PNG
(CHEMBL2324118)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(N)(=O)=O)cc3c(=O)c2c1
Show InChI InChI=1S/C19H16N4O3S/c1-23-10-15(9-22-23)14-7-17-18(21-8-14)5-4-13-3-2-12(11-27(20,25)26)6-16(13)19(17)24/h2-10H,11H2,1H3,(H2,20,25,26)
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n/an/a 98n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427166
PNG
(CHEMBL2324119)
Show SMILES CNS(=O)(=O)Cc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C20H18N4O3S/c1-21-28(26,27)12-13-3-4-14-5-6-19-18(20(25)17(14)7-13)8-15(9-22-19)16-10-23-24(2)11-16/h3-11,21H,12H2,1-2H3
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n/an/a 163n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427146
PNG
(CHEMBL2323780)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)CCc4ccccn4)cc3c(=O)c2c1
Show InChI InChI=1S/C26H22N4O3S/c1-30-16-21(15-29-30)20-13-24-25(28-14-20)8-7-19-6-5-18(12-23(19)26(24)31)17-34(32,33)11-9-22-4-2-3-10-27-22/h2-8,10,12-16H,9,11,17H2,1H3
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n/an/a 190n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50427139
PNG
(CHEMBL2324117)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(cc3c(=O)c2c1)C(O)C(N)=O
Show InChI InChI=1S/C20H16N4O3/c1-24-10-14(9-23-24)13-7-16-17(22-8-13)5-4-11-2-3-12(18(25)20(21)27)6-15(11)19(16)26/h2-10,18,25H,1H3,(H2,21,27)
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n/an/a 403n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of RON (unknown origin) by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427138
PNG
(CHEMBL2323775 | MK-8033)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3
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n/an/a 582n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) expressed in human GTL16 cells assessed as inhibition of cell proliferation


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50427142
PNG
(CHEMBL2324129)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CC(N)=O)cc3c(=O)c2c1
Show InChI InChI=1S/C20H16N4O2/c1-24-11-15(10-23-24)14-8-17-18(22-9-14)5-4-13-3-2-12(7-19(21)25)6-16(13)20(17)26/h2-6,8-11H,7H2,1H3,(H2,21,25)
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n/an/a 861n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of RON (unknown origin) by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50427140
PNG
(CHEMBL2324116)
Show SMILES CC(C(N)=O)c1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C21H18N4O2/c1-12(21(22)27)14-4-3-13-5-6-19-18(20(26)17(13)7-14)8-15(9-23-19)16-10-24-25(2)11-16/h3-12H,1-2H3,(H2,22,27)
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n/an/a 912n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of RON (unknown origin) by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427148
PNG
(CHEMBL2323784)
Show SMILES CN(C)C(=O)Cc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C22H20N4O2/c1-25(2)21(27)9-14-4-5-15-6-7-20-19(22(28)18(15)8-14)10-16(11-23-20)17-12-24-26(3)13-17/h4-8,10-13H,9H2,1-3H3
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n/an/a 1.16E+3n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427168
PNG
(CHEMBL2324115)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CC(=O)NCc4ccccn4)cc3c(=O)c2c1
Show InChI InChI=1S/C26H21N5O2/c1-31-16-20(14-30-31)19-12-23-24(28-13-19)8-7-18-6-5-17(10-22(18)26(23)33)11-25(32)29-15-21-4-2-3-9-27-21/h2-10,12-14,16H,11,15H2,1H3,(H,29,32)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427149
PNG
(CHEMBL2324130)
Show SMILES CNC(=O)Cc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C21H18N4O2/c1-22-20(26)8-13-3-4-14-5-6-19-18(21(27)17(14)7-13)9-15(10-23-19)16-11-24-25(2)12-16/h3-7,9-12H,8H2,1-2H3,(H,22,26)
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n/an/a 1.89E+3n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50427141
PNG
(CHEMBL2324113)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CC(=O)NCc4ccccc4)cc3c(=O)c2c1
Show InChI InChI=1S/C27H22N4O2/c1-31-17-22(16-30-31)21-13-24-25(28-15-21)10-9-20-8-7-19(11-23(20)27(24)33)12-26(32)29-14-18-5-3-2-4-6-18/h2-11,13,15-17H,12,14H2,1H3,(H,29,32)
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n/an/a 2.29E+3n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of RON (unknown origin) by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427165
PNG
(CHEMBL2324120)
Show SMILES CN(C)S(=O)(=O)Cc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C21H20N4O3S/c1-24(2)29(27,28)13-14-4-5-15-6-7-20-19(21(26)18(15)8-14)9-16(10-22-20)17-11-23-25(3)12-17/h4-12H,13H2,1-3H3
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n/an/a 2.29E+3n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50347681
PNG
(CHEMBL1802829)
Show SMILES CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C20H19N5O3S/c1-24(2)29(27,28)23-16-6-4-13-5-7-19-18(20(26)17(13)9-16)8-14(10-21-19)15-11-22-25(3)12-15/h4-12,23H,1-3H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) expressed in human GTL16 cells assessed as inhibition of cell proliferation


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427169
PNG
(CHEMBL2324114)
Show SMILES CN(CC1COCCO1)C(=O)Cc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C26H26N4O4/c1-29(15-21-16-33-7-8-34-21)25(31)10-17-3-4-18-5-6-24-23(26(32)22(18)9-17)11-19(12-27-24)20-13-28-30(2)14-20/h3-6,9,11-14,21H,7-8,10,15-16H2,1-2H3
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n/an/a 3.19E+3n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427147
PNG
(CHEMBL2324112)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CC(=O)Nc4ccccc4)cc3c(=O)c2c1
Show InChI InChI=1S/C26H20N4O2/c1-30-16-20(15-28-30)19-13-23-24(27-14-19)10-9-18-8-7-17(11-22(18)26(23)32)12-25(31)29-21-5-3-2-4-6-21/h2-11,13-16H,12H2,1H3,(H,29,31)
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n/an/a 3.69E+3n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427150
PNG
(CHEMBL2323776)
Show SMILES CCN(Cc1ccccn1)S(=O)(=O)Cc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C27H25N5O3S/c1-3-32(17-23-6-4-5-11-28-23)36(34,35)18-19-7-8-20-9-10-26-25(27(33)24(20)12-19)13-21(14-29-26)22-15-30-31(2)16-22/h4-16H,3,17-18H2,1-2H3
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n/an/a 4.95E+3n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427138
PNG
(CHEMBL2323775 | MK-8033)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-MET activation (unknown origin) expressed in human HCT116 cells


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50427138
PNG
(CHEMBL2323775 | MK-8033)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3
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n/an/a 1.16E+4n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate by LC-MS-MS analysis


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50427138
PNG
(CHEMBL2323775 | MK-8033)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3
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n/an/a 1.47E+4n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50427138
PNG
(CHEMBL2323775 | MK-8033)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3
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n/an/a 4.62E+4n/an/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427138
PNG
(CHEMBL2323775 | MK-8033)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3
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n/an/an/a 10n/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to unphosphorylated c-MET kinase domain (unknown origin)


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50427138
PNG
(CHEMBL2323775 | MK-8033)
Show SMILES Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1
Show InChI InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3
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n/an/an/a 3.20n/an/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated c-MET kinase domain (unknown origin)


J Med Chem 56: 2294-310 (2013)


Article DOI: 10.1021/jm301619u
BindingDB Entry DOI: 10.7270/Q21837VX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%