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BDBM342108 3-((4-((4-(3-(3-(tert-Butyl)-1-ethyl-1H-pyrazol-5-yl)ureido)naphthalen-1-yl)oxy)pyrimidin-2-yl)amino)-5-ethynyl-N-(2-(2-(2-methoxyethoxy)ethoxy)ethyl)benzamide::US9771353, Example 8

SMILES: CCn1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(cc(c3)C(=O)NCCOCCOCCOC)C#C)n2)c2ccccc12)C(C)(C)C

InChI Key: InChIKey=WFIJSNHJXOWVOT-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 342108   
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
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM342108
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-ethyl-1H-pyrazol-5-...)
Show SMILES CCn1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(cc(c3)C(=O)NCCOCCOCCOC)C#C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C40H46N8O6/c1-7-27-23-28(37(49)41-17-18-52-21-22-53-20-19-51-6)25-29(24-27)43-38-42-16-15-36(46-38)54-33-14-13-32(30-11-9-10-12-31(30)33)44-39(50)45-35-26-34(40(3,4)5)47-48(35)8-2/h1,9-16,23-26H,8,17-22H2,2-6H3,(H,41,49)(H,42,43,46)(H2,44,45,50)
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PC cid
PC sid
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US Patent
n/an/a 20n/an/an/an/an/an/a



TOPIVERT PHARMA LIMITED; RESPIVERT LIMITED

US Patent


Assay Description
p38 MAPKγ: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashio...


US Patent US9771353 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ4219
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM342108
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-ethyl-1H-pyrazol-5-...)
Show SMILES CCn1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(cc(c3)C(=O)NCCOCCOCCOC)C#C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C40H46N8O6/c1-7-27-23-28(37(49)41-17-18-52-21-22-53-20-19-51-6)25-29(24-27)43-38-42-16-15-36(46-38)54-33-14-13-32(30-11-9-10-12-31(30)33)44-39(50)45-35-26-34(40(3,4)5)47-48(35)8-2/h1,9-16,23-26H,8,17-22H2,2-6H3,(H,41,49)(H,42,43,46)(H2,44,45,50)
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US Patent
n/an/a 3.07E+3n/an/an/an/an/an/a



TOPIVERT PHARMA LIMITED; RESPIVERT LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against the GSK 3-alpha enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9771353 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ4219
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM342108
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-ethyl-1H-pyrazol-5-...)
Show SMILES CCn1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(cc(c3)C(=O)NCCOCCOCCOC)C#C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C40H46N8O6/c1-7-27-23-28(37(49)41-17-18-52-21-22-53-20-19-51-6)25-29(24-27)43-38-42-16-15-36(46-38)54-33-14-13-32(30-11-9-10-12-31(30)33)44-39(50)45-35-26-34(40(3,4)5)47-48(35)8-2/h1,9-16,23-26H,8,17-22H2,2-6H3,(H,41,49)(H,42,43,46)(H2,44,45,50)
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n/an/a>1.00E+3n/an/an/an/an/an/a



TOPIVERT PHARMA LIMITED; RESPIVERT LIMITED

US Patent


Assay Description
GSK 3α: The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determinin...


US Patent US9771353 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ4219
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM342108
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-ethyl-1H-pyrazol-5-...)
Show SMILES CCn1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(cc(c3)C(=O)NCCOCCOCCOC)C#C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C40H46N8O6/c1-7-27-23-28(37(49)41-17-18-52-21-22-53-20-19-51-6)25-29(24-27)43-38-42-16-15-36(46-38)54-33-14-13-32(30-11-9-10-12-31(30)33)44-39(50)45-35-26-34(40(3,4)5)47-48(35)8-2/h1,9-16,23-26H,8,17-22H2,2-6H3,(H,41,49)(H,42,43,46)(H2,44,45,50)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



TOPIVERT PHARMA LIMITED; RESPIVERT LIMITED

US Patent


Assay Description
c-Src and Syk: The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion...


US Patent US9771353 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ4219
More data for this
Ligand-Target Pair