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BDBM298445 4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsulfonamido)phenyl)ureido)naphthalen-1-yl)oxy)pyridin-2-yl)amino)-2-methoxy-N-((2S,3S4R)-2,3,4,5-tetrahydroxypentyl)benzamide::US10125100, Example 42::US9751837, Example 42

SMILES: COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC[C@H](O)[C@H](O)[C@H](O)CO

InChI Key: InChIKey=HJDQNNIRKWGQGL-JBQSSDAJSA-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 = 298445   
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))
BDBM298445
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC[C@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C41H48N6O11S/c1-41(2,3)23-17-30(38(57-5)31(18-23)47-59(6,54)55)46-40(53)45-29-13-14-34(27-10-8-7-9-26(27)29)58-25-15-16-42-36(20-25)44-24-11-12-28(35(19-24)56-4)39(52)43-21-32(49)37(51)33(50)22-48/h7-20,32-33,37,47-51H,21-22H2,1-6H3,(H,42,44)(H,43,52)(H2,45,46,53)/t32-,33+,37-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



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 US10125100 (2018)

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


(Homo sapiens (Human))
BDBM298445
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC[C@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C41H48N6O11S/c1-41(2,3)23-17-30(38(57-5)31(18-23)47-59(6,54)55)46-40(53)45-29-13-14-34(27-10-8-7-9-26(27)29)58-25-15-16-42-36(20-25)44-24-11-12-28(35(19-24)56-4)39(52)43-21-32(49)37(51)33(50)22-48/h7-20,32-33,37,47-51H,21-22H2,1-6H3,(H,42,44)(H,43,52)(H2,45,46,53)/t32-,33+,37-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



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 US10125100 (2018)

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


(Homo sapiens (Human))
BDBM298445
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC[C@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C41H48N6O11S/c1-41(2,3)23-17-30(38(57-5)31(18-23)47-59(6,54)55)46-40(53)45-29-13-14-34(27-10-8-7-9-26(27)29)58-25-15-16-42-36(20-25)44-24-11-12-28(35(19-24)56-4)39(52)43-21-32(49)37(51)33(50)22-48/h7-20,32-33,37,47-51H,21-22H2,1-6H3,(H,42,44)(H,43,52)(H2,45,46,53)/t32-,33+,37-/m0/s1
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n/an/a 88n/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)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM298445
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC[C@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C41H48N6O11S/c1-41(2,3)23-17-30(38(57-5)31(18-23)47-59(6,54)55)46-40(53)45-29-13-14-34(27-10-8-7-9-26(27)29)58-25-15-16-42-36(20-25)44-24-11-12-28(35(19-24)56-4)39(52)43-21-32(49)37(51)33(50)22-48/h7-20,32-33,37,47-51H,21-22H2,1-6H3,(H,42,44)(H,43,52)(H2,45,46,53)/t32-,33+,37-/m0/s1
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n/an/a 3n/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)

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


(Homo sapiens (Human))
BDBM298445
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC[C@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C41H48N6O11S/c1-41(2,3)23-17-30(38(57-5)31(18-23)47-59(6,54)55)46-40(53)45-29-13-14-34(27-10-8-7-9-26(27)29)58-25-15-16-42-36(20-25)44-24-11-12-28(35(19-24)56-4)39(52)43-21-32(49)37(51)33(50)22-48/h7-20,32-33,37,47-51H,21-22H2,1-6H3,(H,42,44)(H,43,52)(H2,45,46,53)/t32-,33+,37-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/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)

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


(Homo sapiens (Human))
BDBM298445
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC[C@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C41H48N6O11S/c1-41(2,3)23-17-30(38(57-5)31(18-23)47-59(6,54)55)46-40(53)45-29-13-14-34(27-10-8-7-9-26(27)29)58-25-15-16-42-36(20-25)44-24-11-12-28(35(19-24)56-4)39(52)43-21-32(49)37(51)33(50)22-48/h7-20,32-33,37,47-51H,21-22H2,1-6H3,(H,42,44)(H,43,52)(H2,45,46,53)/t32-,33+,37-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 88n/an/an/an/an/an/a



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 US10125100 (2018)

More data for this
Ligand-Target Pair