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12 molecules are shown

Compile data set for download or QSAR
Wt: 389.4
BDBM24480
Wt: 403.4
BDBM24482
Wt: 404.4
BDBM24483
Wt: 382.4
BDBM50302899
Wt: 399.4
BDBM50302900
Wt: 383.4
BDBM50302901
Wt: 419.3
BDBM50302902
Wt: 437.3
BDBM50302903
Wt: 419.3
BDBM50302904
Wt: 404.4
BDBM50302905
Wt: 308.3
BDBM50351749
Wt: 322.3
BDBM50351633

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 24480,24482,24483,50302899,50302900,50302901,50302902,50302903,50302904,50302905,50351749,50351633   
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))
BDBM24483
PNG
(5-(3-{[(7-methoxyquinolin-4-yl)oxy]methyl}-[1,2,4]...)
Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C20H16N6O2S/c1-12-9-18(29-25-12)15-5-6-19-22-23-20(26(19)24-15)11-28-17-7-8-21-16-10-13(27-2)3-4-14(16)17/h3-10H,11H2,1-2H3
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US Patent
1.60 -12.1n/an/an/an/an/a8.027



Amgen Inc.

US Patent


Assay Description
A PCR product covering residues 1058-1365 of c-Met (c-Met kinase domain) is generated from Human Liver QuickClone cDNA (Invitrogen) using forward pri...


US Patent US9066954 (2015)


BindingDB Entry DOI: 10.7270/Q2N878JD
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302903
PNG
(7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]tri...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1
Show InChI InChI=1S/C21H14F3N7O/c1-32-12-8-17-21(27-9-12)16(4-5-25-17)26-10-19-29-28-18-3-2-15(30-31(18)19)11-6-13(22)20(24)14(23)7-11/h2-9H,10H2,1H3,(H,25,26)
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US Patent
2.70 -11.8n/an/an/an/an/a8.027



Amgen Inc.

US Patent


Assay Description
A PCR product covering residues 1058-1365 of c-Met (c-Met kinase domain) is generated from Human Liver QuickClone cDNA (Invitrogen) using forward pri...


US Patent US9066954 (2015)


BindingDB Entry DOI: 10.7270/Q2N878JD
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302905
PNG
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21)
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US Patent
3.20 -11.7n/an/an/an/an/a8.027



Amgen Inc.

US Patent


Assay Description
A PCR product covering residues 1058-1365 of c-Met (c-Met kinase domain) is generated from Human Liver QuickClone cDNA (Invitrogen) using forward pri...


US Patent US9066954 (2015)


BindingDB Entry DOI: 10.7270/Q2N878JD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50302904
PNG
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1
Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25)
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200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50302905
PNG
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21)
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Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302905
PNG
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21)
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant MET (unknown origin) using gastrin peptide as substrate preincubated for 30 mins followed by substrate addition incubated f...


J Med Chem 59: 2328-42 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01716
BindingDB Entry DOI: 10.7270/Q2SN0BVN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302905
PNG
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) in absence of NADPH


J Med Chem 59: 2328-42 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01716
BindingDB Entry DOI: 10.7270/Q2SN0BVN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302905
PNG
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant MET (unknown origin) using gastrin peptide as substrate preincubated for 30 mins followed by substrate addition incubated f...


J Med Chem 59: 2328-42 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01716
BindingDB Entry DOI: 10.7270/Q2SN0BVN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24483
PNG
(5-(3-{[(7-methoxyquinolin-4-yl)oxy]methyl}-[1,2,4]...)
Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C20H16N6O2S/c1-12-9-18(29-25-12)15-5-6-19-22-23-20(26(19)24-15)11-28-17-7-8-21-16-10-13(27-2)3-4-14(16)17/h3-10H,11H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302899
PNG
(7-methoxy-N-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES COc1ccc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C22H18N6O/c1-29-16-7-8-17-19(11-12-23-20(17)13-16)24-14-22-26-25-21-10-9-18(27-28(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,24)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302900
PNG
(7-methoxy-4-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES COc1ccc2c(SCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C22H17N5OS/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
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n/an/a>6.67E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302901
PNG
(7-methoxy-N-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C21H17N7O/c1-29-15-11-18-21(24-12-15)17(9-10-22-18)23-13-20-26-25-19-8-7-16(27-28(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23)
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n/an/a 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302902
PNG
(CHEMBL566242 | N-((6-(3,4-difluorophenyl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1
Show InChI InChI=1S/C21H15F2N7O/c1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-14(22)15(23)8-12/h2-10H,11H2,1H3,(H,24,25)
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n/an/a 9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302903
PNG
(7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]tri...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1
Show InChI InChI=1S/C21H14F3N7O/c1-32-12-8-17-21(27-9-12)16(4-5-25-17)26-10-19-29-28-18-3-2-15(30-31(18)19)11-6-13(22)20(24)14(23)7-11/h2-9H,10H2,1H3,(H,25,26)
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302904
PNG
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1
Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302905
PNG
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21)
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 3A


(Homo sapiens (human))
BDBM24483
PNG
(5-(3-{[(7-methoxyquinolin-4-yl)oxy]methyl}-[1,2,4]...)
Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C20H16N6O2S/c1-12-9-18(29-25-12)15-5-6-19-22-23-20(26(19)24-15)11-28-17-7-8-21-16-10-13(27-2)3-4-14(16)17/h3-10H,11H2,1-2H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302899
PNG
(7-methoxy-N-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES COc1ccc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C22H18N6O/c1-29-16-7-8-17-19(11-12-23-20(17)13-16)24-14-22-26-25-21-10-9-18(27-28(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302900
PNG
(7-methoxy-4-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES COc1ccc2c(SCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C22H17N5OS/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302901
PNG
(7-methoxy-N-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C21H17N7O/c1-29-15-11-18-21(24-12-15)17(9-10-22-18)23-13-20-26-25-19-8-7-16(27-28(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302902
PNG
(CHEMBL566242 | N-((6-(3,4-difluorophenyl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1
Show InChI InChI=1S/C21H15F2N7O/c1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-14(22)15(23)8-12/h2-10H,11H2,1H3,(H,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302903
PNG
(7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]tri...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1
Show InChI InChI=1S/C21H14F3N7O/c1-32-12-8-17-21(27-9-12)16(4-5-25-17)26-10-19-29-28-18-3-2-15(30-31(18)19)11-6-13(22)20(24)14(23)7-11/h2-9H,10H2,1H3,(H,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302904
PNG
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1
Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302905
PNG
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM24483
PNG
(5-(3-{[(7-methoxyquinolin-4-yl)oxy]methyl}-[1,2,4]...)
Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C20H16N6O2S/c1-12-9-18(29-25-12)15-5-6-19-22-23-20(26(19)24-15)11-28-17-7-8-21-16-10-13(27-2)3-4-14(16)17/h3-10H,11H2,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302899
PNG
(7-methoxy-N-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES COc1ccc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C22H18N6O/c1-29-16-7-8-17-19(11-12-23-20(17)13-16)24-14-22-26-25-21-10-9-18(27-28(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,23,24)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302900
PNG
(7-methoxy-4-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES COc1ccc2c(SCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C22H17N5OS/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302901
PNG
(7-methoxy-N-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C21H17N7O/c1-29-15-11-18-21(24-12-15)17(9-10-22-18)23-13-20-26-25-19-8-7-16(27-28(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23)
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n/an/a 4.10E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302902
PNG
(CHEMBL566242 | N-((6-(3,4-difluorophenyl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1
Show InChI InChI=1S/C21H15F2N7O/c1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-14(22)15(23)8-12/h2-10H,11H2,1H3,(H,24,25)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302903
PNG
(7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]tri...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1
Show InChI InChI=1S/C21H14F3N7O/c1-32-12-8-17-21(27-9-12)16(4-5-25-17)26-10-19-29-28-18-3-2-15(30-31(18)19)11-6-13(22)20(24)14(23)7-11/h2-9H,10H2,1H3,(H,25,26)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302904
PNG
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1
Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302905
PNG
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302901
PNG
(7-methoxy-N-((6-phenyl-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C21H17N7O/c1-29-15-11-18-21(24-12-15)17(9-10-22-18)23-13-20-26-25-19-8-7-16(27-28(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23)
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n/an/a 14n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of HGF-mediated human c-Met autophosphorylation expressed in human PC3 cells after 1 hr by electrochemiluminescent immunoassay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302902
PNG
(CHEMBL566242 | N-((6-(3,4-difluorophenyl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1
Show InChI InChI=1S/C21H15F2N7O/c1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-14(22)15(23)8-12/h2-10H,11H2,1H3,(H,24,25)
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of HGF-mediated human c-Met autophosphorylation expressed in human PC3 cells after 1 hr by electrochemiluminescent immunoassay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302903
PNG
(7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]tri...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1
Show InChI InChI=1S/C21H14F3N7O/c1-32-12-8-17-21(27-9-12)16(4-5-25-17)26-10-19-29-28-18-3-2-15(30-31(18)19)11-6-13(22)20(24)14(23)7-11/h2-9H,10H2,1H3,(H,25,26)
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of HGF-mediated human c-Met autophosphorylation expressed in human PC3 cells after 1 hr by electrochemiluminescent immunoassay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302904
PNG
(CHEMBL568138 | N-((6-(3,5-difluorophenyl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1
Show InChI InChI=1S/C21H15F2N7O/c1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h2-10H,11H2,1H3,(H,24,25)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of HGF-mediated human c-Met autophosphorylation expressed in human PC3 cells after 1 hr by electrochemiluminescent immunoassay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302905
PNG
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of HGF-mediated human c-Met autophosphorylation expressed in human PC3 cells after 1 hr by electrochemiluminescent immunoassay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50351633
PNG
(CHEMBL497118)
Show SMILES Cc1csc(c1)-c1ccc2nnc(Cc3ccc(O)cc3)n2n1
Show InChI InChI=1S/C17H14N4OS/c1-11-8-15(23-10-11)14-6-7-16-18-19-17(21(16)20-14)9-12-2-4-13(22)5-3-12/h2-8,10,22H,9H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human c-MET


Eur J Med Chem 46: 3675-80 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.031
BindingDB Entry DOI: 10.7270/Q2891676
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50351749
PNG
(CHEMBL523386)
Show SMILES Oc1ccc(Cc2nnc3ccc(nn23)-c2cccs2)cc1
Show InChI InChI=1S/C16H12N4OS/c21-12-5-3-11(4-6-12)10-16-18-17-15-8-7-13(19-20(15)16)14-2-1-9-22-14/h1-9,21H,10H2
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n/an/a 2n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human c-MET


Eur J Med Chem 46: 3675-80 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.031
BindingDB Entry DOI: 10.7270/Q2891676
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50302905
PNG
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) in absence of NADPH


J Med Chem 59: 2328-42 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01716
BindingDB Entry DOI: 10.7270/Q2SN0BVN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50302905
PNG
(7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]t...)
Show SMILES COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21)
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n/an/a 6n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry


ACS Med Chem Lett 6: 507-12 (2015)


Article DOI: 10.1021/ml5004876
BindingDB Entry DOI: 10.7270/Q2QV3P79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24483
PNG
(5-(3-{[(7-methoxyquinolin-4-yl)oxy]methyl}-[1,2,4]...)
Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C20H16N6O2S/c1-12-9-18(29-25-12)15-5-6-19-22-23-20(26(19)24-15)11-28-17-7-8-21-16-10-13(27-2)3-4-14(16)17/h3-10H,11H2,1-2H3
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n/an/a 3n/an/an/an/a7.422



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. Mole...


J Med Chem 51: 2879-82 (2008)


Article DOI: 10.1021/jm800043g
BindingDB Entry DOI: 10.7270/Q29P2ZZ6
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24483
PNG
(5-(3-{[(7-methoxyquinolin-4-yl)oxy]methyl}-[1,2,4]...)
Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
Show InChI InChI=1S/C20H16N6O2S/c1-12-9-18(29-25-12)15-5-6-19-22-23-20(26(19)24-15)11-28-17-7-8-21-16-10-13(27-2)3-4-14(16)17/h3-10H,11H2,1-2H3
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human c-MET


Eur J Med Chem 46: 3675-80 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.031
BindingDB Entry DOI: 10.7270/Q2891676
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24480
PNG
(7-methoxy-4-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,...)
Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cccs3)ccnc2c1
Show InChI InChI=1S/C20H15N5O2S/c1-26-13-4-5-14-16(11-13)21-9-8-17(14)27-12-20-23-22-19-7-6-15(24-25(19)20)18-3-2-10-28-18/h2-11H,12H2,1H3
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n/an/a 2n/an/an/an/a7.422



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. Mole...


J Med Chem 51: 2879-82 (2008)


Article DOI: 10.1021/jm800043g
BindingDB Entry DOI: 10.7270/Q29P2ZZ6
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24482
PNG
(7-methoxy-4-{[6-(4-methylthiophen-2-yl)-[1,2,4]tri...)
Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(C)cs3)ccnc2c1
Show InChI InChI=1S/C21H17N5O2S/c1-13-9-19(29-12-13)16-5-6-20-23-24-21(26(20)25-16)11-28-18-7-8-22-17-10-14(27-2)3-4-15(17)18/h3-10,12H,11H2,1-2H3
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n/an/a 1n/an/an/an/a7.422



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. Mole...


J Med Chem 51: 2879-82 (2008)


Article DOI: 10.1021/jm800043g
BindingDB Entry DOI: 10.7270/Q29P2ZZ6
More data for this
Ligand-Target Pair