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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 = 'BDBM298391'   
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))
BDBM298391
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)CCCN1CCOCC1
Show InChI InChI=1S/C43H53N7O9S2/c1-43(2,3)29-25-35(41(57-6)36(26-29)48-60(7,52)53)47-42(51)46-34-14-15-37(33-12-9-8-11-32(33)34)59-31-17-18-44-40(28-31)45-30-13-16-39(38(27-30)56-5)61(54,55)49(4)19-10-20-50-21-23-58-24-22-50/h8-9,11-18,25-28,48H,10,19-24H2,1-7H3,(H,44,45)(H2,46,47,51)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/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))
BDBM298391
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)CCCN1CCOCC1
Show InChI InChI=1S/C43H53N7O9S2/c1-43(2,3)29-25-35(41(57-6)36(26-29)48-60(7,52)53)47-42(51)46-34-14-15-37(33-12-9-8-11-32(33)34)59-31-17-18-44-40(28-31)45-30-13-16-39(38(27-30)56-5)61(54,55)49(4)19-10-20-50-21-23-58-24-22-50/h8-9,11-18,25-28,48H,10,19-24H2,1-7H3,(H,44,45)(H2,46,47,51)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/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