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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 = 'BDBM298427'   
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))
BDBM298427
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)ccc1C(=O)NCCCN1CCS(=O)CC1
Show InChI InChI=1S/C43H51N7O8S2/c1-43(2,3)28-24-35(40(57-5)36(25-28)49-60(6,54)55)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)58-30-16-18-44-39(27-30)46-29-12-13-33(38(26-29)56-4)41(51)45-17-9-19-50-20-22-59(53)23-21-50/h7-8,10-16,18,24-27,49H,9,17,19-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/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))
BDBM298427
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)ccc1C(=O)NCCCN1CCS(=O)CC1
Show InChI InChI=1S/C43H51N7O8S2/c1-43(2,3)28-24-35(40(57-5)36(25-28)49-60(6,54)55)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)58-30-16-18-44-39(27-30)46-29-12-13-33(38(26-29)56-4)41(51)45-17-9-19-50-20-22-59(53)23-21-50/h7-8,10-16,18,24-27,49H,9,17,19-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/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