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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM298409'   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM298409
PNG
(1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-p...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)N(C)CCN1CCOCC1
Show InChI InChI=1S/C42H51N7O9S2/c1-42(2,3)28-24-34(40(56-6)35(25-28)47-59(7,51)52)46-41(50)45-33-13-14-36(32-11-9-8-10-31(32)33)58-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)55-5)60(53,54)48(4)18-19-49-20-22-57-23-21-49/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(H2,45,46,50)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 232n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM298409
PNG
(1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-p...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)N(C)CCN1CCOCC1
Show InChI InChI=1S/C42H51N7O9S2/c1-42(2,3)28-24-34(40(56-6)35(25-28)47-59(7,51)52)46-41(50)45-33-13-14-36(32-11-9-8-10-31(32)33)58-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)55-5)60(53,54)48(4)18-19-49-20-22-57-23-21-49/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(H2,45,46,50)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 232n/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