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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 298425   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Baculoviral IAP repeat-containing protein 2 [174-256]


(Homo sapiens (Human))
BDBM298425
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O9S/c1-43(2,3)27-22-33(40(57-6)34(23-27)49-60(7,53)54)48-42(52)47-32-12-13-35(31-11-9-8-10-30(31)32)59-29-14-15-44-38(26-29)46-28-24-36(55-4)39(37(25-28)56-5)41(51)45-16-17-50-18-20-58-21-19-50/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM298425
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O9S/c1-43(2,3)27-22-33(40(57-6)34(23-27)49-60(7,53)54)48-42(52)47-32-12-13-35(31-11-9-8-10-30(31)32)59-29-14-15-44-38(26-29)46-28-24-36(55-4)39(37(25-28)56-5)41(51)45-16-17-50-18-20-58-21-19-50/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM298425
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O9S/c1-43(2,3)27-22-33(40(57-6)34(23-27)49-60(7,53)54)48-42(52)47-32-12-13-35(31-11-9-8-10-30(31)32)59-29-14-15-44-38(26-29)46-28-24-36(55-4)39(37(25-28)56-5)41(51)45-16-17-50-18-20-58-21-19-50/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 112n/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
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298425
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O9S/c1-43(2,3)27-22-33(40(57-6)34(23-27)49-60(7,53)54)48-42(52)47-32-12-13-35(31-11-9-8-10-30(31)32)59-29-14-15-44-38(26-29)46-28-24-36(55-4)39(37(25-28)56-5)41(51)45-16-17-50-18-20-58-21-19-50/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


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