BindingDB logo
myBDB logout

BDBM334374 1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-((2-((3-methoxy-5-(2-(2-(2-morpholinoethoxy)ethoxy)ethoxy)phenyl)amino)pyrimidin-4-yl)oxy)naphthalen-1-yl)urea::US9732063, Example 58

SMILES: COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN2CCOCC2)c1

InChI Key: InChIKey=OHTDBFPGRCKSTH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 334374   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM334374
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN2CCOCC2)c1
Show InChI InChI=1S/C46H54N8O7/c1-32-10-12-34(13-11-32)54-42(31-41(52-54)46(2,3)4)50-45(55)49-39-14-15-40(38-9-7-6-8-37(38)39)61-43-16-17-47-44(51-43)48-33-28-35(56-5)30-36(29-33)60-27-26-59-25-24-58-23-20-53-18-21-57-22-19-53/h6-17,28-31H,18-27H2,1-5H3,(H,47,48,51)(H2,49,50,55)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


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


US Patent US9732063 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM334374
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN2CCOCC2)c1
Show InChI InChI=1S/C46H54N8O7/c1-32-10-12-34(13-11-32)54-42(31-41(52-54)46(2,3)4)50-45(55)49-39-14-15-40(38-9-7-6-8-37(38)39)61-43-16-17-47-44(51-43)48-33-28-35(56-5)30-36(29-33)60-27-26-59-25-24-58-23-20-53-18-21-57-22-19-53/h6-17,28-31H,18-27H2,1-5H3,(H,47,48,51)(H2,49,50,55)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.81E+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 the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9732063 (2017)

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


(Homo sapiens (Human))
BDBM334374
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN2CCOCC2)c1
Show InChI InChI=1S/C46H54N8O7/c1-32-10-12-34(13-11-32)54-42(31-41(52-54)46(2,3)4)50-45(55)49-39-14-15-40(38-9-7-6-8-37(38)39)61-43-16-17-47-44(51-43)48-33-28-35(56-5)30-36(29-33)60-27-26-59-25-24-58-23-20-53-18-21-57-22-19-53/h6-17,28-31H,18-27H2,1-5H3,(H,47,48,51)(H2,49,50,55)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 28n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


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


US Patent US9732063 (2017)

More data for this
Ligand-Target Pair