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1 similar compounds to monomer 50065455

Compile data set for download or QSAR
Wt: 514.6
BDBM50065456

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50065456   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50065456
PNG
(CHEMBL3402741)
Show SMILES CCN(CC)CCCOC(=O)Nc1cccc(CN2N=C(CSC2=O)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C26H34N4O5S/c1-5-29(6-2)13-8-14-35-25(31)27-21-10-7-9-19(15-21)17-30-26(32)36-18-22(28-30)20-11-12-23(33-3)24(16-20)34-4/h7,9-12,15-16H,5-6,8,13-14,17-18H2,1-4H3,(H,27,31)
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n/an/a 63n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of PDE4 (unknown origin)


Bioorg Med Chem Lett 25: 1597-602 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.002
BindingDB Entry DOI: 10.7270/Q2HX1FBT
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50065456
PNG
(CHEMBL3402741)
Show SMILES CCN(CC)CCCOC(=O)Nc1cccc(CN2N=C(CSC2=O)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C26H34N4O5S/c1-5-29(6-2)13-8-14-35-25(31)27-21-10-7-9-19(15-21)17-30-26(32)36-18-22(28-30)20-11-12-23(33-3)24(16-20)34-4/h7,9-12,15-16H,5-6,8,13-14,17-18H2,1-4H3,(H,27,31)
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n/an/a 400n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of GST-His6-tagged recombinant human c-Met kinase domain (956 to 1390) after 60 mins by anoff-chip mobility shift assay


Bioorg Med Chem Lett 25: 1597-602 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.002
BindingDB Entry DOI: 10.7270/Q2HX1FBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50065456
PNG
(CHEMBL3402741)
Show SMILES CCN(CC)CCCOC(=O)Nc1cccc(CN2N=C(CSC2=O)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C26H34N4O5S/c1-5-29(6-2)13-8-14-35-25(31)27-21-10-7-9-19(15-21)17-30-26(32)36-18-22(28-30)20-11-12-23(33-3)24(16-20)34-4/h7,9-12,15-16H,5-6,8,13-14,17-18H2,1-4H3,(H,27,31)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Serono

Curated by ChEMBL


Assay Description
Inhibition of c-Met kinase in human A549 cells assessed as inhibition of phosphorylation after 45 mins by electrochemiluminescence assay


Bioorg Med Chem Lett 25: 1597-602 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.002
BindingDB Entry DOI: 10.7270/Q2HX1FBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)