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BDBM277677 2-(2-(2-(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy)-3-(methylsulfonamido)phenyl)ureido-naphthalen-1-yl)oxy)pyridin-2-yl)amino-5-methoxyphenoxy)ethoxy)ethoxy)acetic acid::US10072034, Example 3

SMILES: COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OCCOCCOCC(O)=O)c1

InChI Key: InChIKey=HKSWAIDHHZHZTD-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 277677   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM277677
PNG
(2-(2-(2-(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy)-3...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OCCOCCOCC(O)=O)c1
Show InChI InChI=1S/C41H47N5O11S/c1-41(2,3)26-19-34(39(53-5)35(20-26)46-58(6,50)51)45-40(49)44-33-11-12-36(32-10-8-7-9-31(32)33)57-28-13-14-42-37(24-28)43-27-21-29(52-4)23-30(22-27)56-18-17-54-15-16-55-25-38(47)48/h7-14,19-24,46H,15-18,25H2,1-6H3,(H,42,43)(H,47,48)(H2,44,45,49)
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US Patent
n/an/a 23n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen) are evaluated indirectly by determining the level...


US Patent US10072034 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B49
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM277677
PNG
(2-(2-(2-(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy)-3...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OCCOCCOCC(O)=O)c1
Show InChI InChI=1S/C41H47N5O11S/c1-41(2,3)26-19-34(39(53-5)35(20-26)46-58(6,50)51)45-40(49)44-33-11-12-36(32-10-8-7-9-31(32)33)57-28-13-14-42-37(24-28)43-27-21-29(52-4)23-30(22-27)56-18-17-54-15-16-55-25-38(47)48/h7-14,19-24,46H,15-18,25H2,1-6H3,(H,42,43)(H,47,48)(H2,44,45,49)
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US Patent
n/an/a 18n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


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


US Patent US10072034 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B49
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM277677
PNG
(2-(2-(2-(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy)-3...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OCCOCCOCC(O)=O)c1
Show InChI InChI=1S/C41H47N5O11S/c1-41(2,3)26-19-34(39(53-5)35(20-26)46-58(6,50)51)45-40(49)44-33-11-12-36(32-10-8-7-9-31(32)33)57-28-13-14-42-37(24-28)43-27-21-29(52-4)23-30(22-27)56-18-17-54-15-16-55-25-38(47)48/h7-14,19-24,46H,15-18,25H2,1-6H3,(H,42,43)(H,47,48)(H2,44,45,49)
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US Patent
n/an/a 10.8n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
PBMCs from healthy subjects are separated from whole blood using a density gradient (Lymphoprep, Axis-Shield Healthcare). Cells are added to a 96 wel...


US Patent US10072034 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B49
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))
BDBM277677
PNG
(2-(2-(2-(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy)-3...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OCCOCCOCC(O)=O)c1
Show InChI InChI=1S/C41H47N5O11S/c1-41(2,3)26-19-34(39(53-5)35(20-26)46-58(6,50)51)45-40(49)44-33-11-12-36(32-10-8-7-9-31(32)33)57-28-13-14-42-37(24-28)43-27-21-29(52-4)23-30(22-27)56-18-17-54-15-16-55-25-38(47)48/h7-14,19-24,46H,15-18,25H2,1-6H3,(H,42,43)(H,47,48)(H2,44,45,49)
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US Patent
n/an/a 17.3n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
PBMCs from healthy subjects are separated from whole blood using a density gradient (Lymphoprep, Axis-Shield Healthcare). Cells are added to a 96 wel...


US Patent US10072034 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B49
More data for this
Ligand-Target Pair
Interferon gamma receptor 1


(Homo sapiens (Human))
BDBM277677
PNG
(2-(2-(2-(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy)-3...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OCCOCCOCC(O)=O)c1
Show InChI InChI=1S/C41H47N5O11S/c1-41(2,3)26-19-34(39(53-5)35(20-26)46-58(6,50)51)45-40(49)44-33-11-12-36(32-10-8-7-9-31(32)33)57-28-13-14-42-37(24-28)43-27-21-29(52-4)23-30(22-27)56-18-17-54-15-16-55-25-38(47)48/h7-14,19-24,46H,15-18,25H2,1-6H3,(H,42,43)(H,47,48)(H2,44,45,49)
PDB

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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31.8n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
PBMCs from healthy subjects are separated from whole blood using a density gradient (Lymphoprep, Axis-Shield Healthcare). Cells are added to a 96 wel...


US Patent US10072034 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B49
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM277677
PNG
(2-(2-(2-(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy)-3...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OCCOCCOCC(O)=O)c1
Show InChI InChI=1S/C41H47N5O11S/c1-41(2,3)26-19-34(39(53-5)35(20-26)46-58(6,50)51)45-40(49)44-33-11-12-36(32-10-8-7-9-31(32)33)57-28-13-14-42-37(24-28)43-27-21-29(52-4)23-30(22-27)56-18-17-54-15-16-55-25-38(47)48/h7-14,19-24,46H,15-18,25H2,1-6H3,(H,42,43)(H,47,48)(H2,44,45,49)
PDB
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NCI pathway
Reactome pathway
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PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


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


US Patent US10072034 (2018)


BindingDB Entry DOI: 10.7270/Q2B85B49
More data for this
Ligand-Target Pair