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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 = 'BDBM298430'   
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))
BDBM298430
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)NCCCN1CCCOCC1
Show InChI InChI=1S/C44H53N7O8S/c1-44(2,3)29-25-36(41(57-5)37(26-29)50-60(6,54)55)49-43(53)48-35-15-16-38(33-12-8-7-11-32(33)35)59-31-17-19-45-40(28-31)47-30-13-14-34(39(27-30)56-4)42(52)46-18-9-20-51-21-10-23-58-24-22-51/h7-8,11-17,19,25-28,50H,9-10,18,20-24H2,1-6H3,(H,45,47)(H,46,52)(H2,48,49,53)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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))
BDBM298430
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)NCCCN1CCCOCC1
Show InChI InChI=1S/C44H53N7O8S/c1-44(2,3)29-25-36(41(57-5)37(26-29)50-60(6,54)55)49-43(53)48-35-15-16-38(33-12-8-7-11-32(33)35)59-31-17-19-45-40(28-31)47-30-13-14-34(39(27-30)56-4)42(52)46-18-9-20-51-21-10-23-58-24-22-51/h7-8,11-17,19,25-28,50H,9-10,18,20-24H2,1-6H3,(H,45,47)(H,46,52)(H2,48,49,53)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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