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BDBM50427138 CHEMBL2323775::MK-8033

SMILES: Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1

InChI Key: InChIKey=VMJFTOSOFDEKTM-UHFFFAOYSA-N

Data: 9 IC50  3 Kd

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 12 hits for monomerid = 50427138   
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
Ferrochelatase R115L (FECH)


(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 2.80E+4n/an/an/an/an/a



Technical University of Munich



Assay Description
Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...


ACS Chem Biol 11: 1245-54 (2016)


Article DOI: 10.1021/acschembio.5b01063
BindingDB Entry DOI: 10.7270/Q2FB51R8
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
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
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))
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
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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of RON (unknown origin)


Eur J Med Chem 163: 413-427 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.072
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
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
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 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
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))
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