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SMILES: COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CS(C)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOCC1

InChI Key: InChIKey=MCPXUGGNYXHTMJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 381098   
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))
BDBM381098
PNG
(US9890185, Example 38(u))
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CS(C)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H50N6O7S/c1-43(2,3)30-21-29(27-57(6)52)40(54-5)37(24-30)48-42(51)47-36-11-12-38(35-10-8-7-9-34(35)36)56-32-13-14-44-39(26-32)46-31-22-28(23-33(25-31)53-4)41(50)45-15-16-49-17-19-55-20-18-49/h7-14,21-26H,15-20,27H2,1-6H3,(H,44,46)(H,45,50)(H2,47,48,51)
PDB
MMDB

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PC sid
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n/an/a 15n/an/an/an/an/an/a



Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...


J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM381098
PNG
(US9890185, Example 38(u))
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CS(C)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H50N6O7S/c1-43(2,3)30-21-29(27-57(6)52)40(54-5)37(24-30)48-42(51)47-36-11-12-38(35-10-8-7-9-34(35)36)56-32-13-14-44-39(26-32)46-31-22-28(23-33(25-31)53-4)41(50)45-15-16-49-17-19-55-20-18-49/h7-14,21-26H,15-20,27H2,1-6H3,(H,44,46)(H,45,50)(H2,47,48,51)
PDB
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n/an/a 1.07E+3n/an/an/an/an/an/a



Cephalon



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


J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM381098
PNG
(US9890185, Example 38(u))
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CS(C)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H50N6O7S/c1-43(2,3)30-21-29(27-57(6)52)40(54-5)37(24-30)48-42(51)47-36-11-12-38(35-10-8-7-9-34(35)36)56-32-13-14-44-39(26-32)46-31-22-28(23-33(25-31)53-4)41(50)45-15-16-49-17-19-55-20-18-49/h7-14,21-26H,15-20,27H2,1-6H3,(H,44,46)(H,45,50)(H2,47,48,51)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



Cephalon



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...


J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair