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SMILES: COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(O)=O)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C

InChI Key: InChIKey=CWEBLBDEUUBLRL-UHFFFAOYSA-N

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 9 hits for monomerid = 337707   
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 14


(Homo sapiens (Human))
BDBM337707
PNG
(US10392346, Example 17(am) | US10941115, Example 1...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(O)=O)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C37H40N6O7S/c1-37(2,3)22-18-29(34(49-6)30(19-22)42-51(7,47)48)41-36(46)40-28-14-15-32(26-11-9-8-10-25(26)28)50-24-16-17-38-33(21-24)39-23-12-13-27(35(44)45)31(20-23)43(4)5/h8-21,42H,1-7H3,(H,38,39)(H,44,45)(H2,40,41,46)
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n/an/a 4n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...


US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM337707
PNG
(US10392346, Example 17(am) | US10941115, Example 1...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(O)=O)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C37H40N6O7S/c1-37(2,3)22-18-29(34(49-6)30(19-22)42-51(7,47)48)41-36(46)40-28-14-15-32(26-11-9-8-10-25(26)28)50-24-16-17-38-33(21-24)39-23-12-13-27(35(44)45)31(20-23)43(4)5/h8-21,42H,1-7H3,(H,38,39)(H,44,45)(H2,40,41,46)
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n/an/a 68n/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 US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM337707
PNG
(US10392346, Example 17(am) | US10941115, Example 1...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(O)=O)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C37H40N6O7S/c1-37(2,3)22-18-29(34(49-6)30(19-22)42-51(7,47)48)41-36(46)40-28-14-15-32(26-11-9-8-10-25(26)28)50-24-16-17-38-33(21-24)39-23-12-13-27(35(44)45)31(20-23)43(4)5/h8-21,42H,1-7H3,(H,38,39)(H,44,45)(H2,40,41,46)
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n/an/a 124n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...


US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 [174-256]


(Homo sapiens (Human))
BDBM337707
PNG
(US10392346, Example 17(am) | US10941115, Example 1...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(O)=O)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C37H40N6O7S/c1-37(2,3)22-18-29(34(49-6)30(19-22)42-51(7,47)48)41-36(46)40-28-14-15-32(26-11-9-8-10-25(26)28)50-24-16-17-38-33(21-24)39-23-12-13-27(35(44)45)31(20-23)43(4)5/h8-21,42H,1-7H3,(H,38,39)(H,44,45)(H2,40,41,46)
PDB

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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Topivert Pharma 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 US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM337707
PNG
(US10392346, Example 17(am) | US10941115, Example 1...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(O)=O)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C37H40N6O7S/c1-37(2,3)22-18-29(34(49-6)30(19-22)42-51(7,47)48)41-36(46)40-28-14-15-32(26-11-9-8-10-25(26)28)50-24-16-17-38-33(21-24)39-23-12-13-27(35(44)45)31(20-23)43(4)5/h8-21,42H,1-7H3,(H,38,39)(H,44,45)(H2,40,41,46)
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n/an/a 124n/an/an/an/an/an/a



Oxular Acquisitions 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 US10941115 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM337707
PNG
(US10392346, Example 17(am) | US10941115, Example 1...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(O)=O)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C37H40N6O7S/c1-37(2,3)22-18-29(34(49-6)30(19-22)42-51(7,47)48)41-36(46)40-28-14-15-32(26-11-9-8-10-25(26)28)50-24-16-17-38-33(21-24)39-23-12-13-27(35(44)45)31(20-23)43(4)5/h8-21,42H,1-7H3,(H,38,39)(H,44,45)(H2,40,41,46)
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n/an/a 124n/an/an/an/an/an/a



Topivert Pharma 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 US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM337707
PNG
(US10392346, Example 17(am) | US10941115, Example 1...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(O)=O)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C37H40N6O7S/c1-37(2,3)22-18-29(34(49-6)30(19-22)42-51(7,47)48)41-36(46)40-28-14-15-32(26-11-9-8-10-25(26)28)50-24-16-17-38-33(21-24)39-23-12-13-27(35(44)45)31(20-23)43(4)5/h8-21,42H,1-7H3,(H,38,39)(H,44,45)(H2,40,41,46)
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n/an/a 4n/an/an/an/an/an/a



Oxular Acquisitions Limited

US Patent


Assay Description
p38 MAPKα Method 2: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen) are evaluated indirectly...


US Patent US10941115 (2021)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM337707
PNG
(US10392346, Example 17(am) | US10941115, Example 1...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(O)=O)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C37H40N6O7S/c1-37(2,3)22-18-29(34(49-6)30(19-22)42-51(7,47)48)41-36(46)40-28-14-15-32(26-11-9-8-10-25(26)28)50-24-16-17-38-33(21-24)39-23-12-13-27(35(44)45)31(20-23)43(4)5/h8-21,42H,1-7H3,(H,38,39)(H,44,45)(H2,40,41,46)
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n/an/a 68n/an/an/an/an/an/a



Oxular Acquisitions 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 US10941115 (2021)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM337707
PNG
(US10392346, Example 17(am) | US10941115, Example 1...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(O)=O)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C37H40N6O7S/c1-37(2,3)22-18-29(34(49-6)30(19-22)42-51(7,47)48)41-36(46)40-28-14-15-32(26-11-9-8-10-25(26)28)50-24-16-17-38-33(21-24)39-23-12-13-27(35(44)45)31(20-23)43(4)5/h8-21,42H,1-7H3,(H,38,39)(H,44,45)(H2,40,41,46)
PDB
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n/an/a 68n/an/an/an/an/an/a



Topivert Pharma 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 US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair