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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 = 'BDBM298381'   
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))
BDBM298381
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COCCOCCOCCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C43H50N6O9/c1-43(2,3)27-23-33(40(44)50)39(55-6)35(24-27)49-42(52)48-34-13-14-36(31-10-8-7-9-30(31)34)58-29-15-16-45-38(26-29)47-28-11-12-32(37(25-28)54-5)41(51)46-17-18-56-21-22-57-20-19-53-4/h7-16,23-26H,17-22H2,1-6H3,(H2,44,50)(H,45,47)(H,46,51)(H2,48,49,52)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 36n/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))
BDBM298381
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COCCOCCOCCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C43H50N6O9/c1-43(2,3)27-23-33(40(44)50)39(55-6)35(24-27)49-42(52)48-34-13-14-36(31-10-8-7-9-30(31)34)58-29-15-16-45-38(26-29)47-28-11-12-32(37(25-28)54-5)41(51)46-17-18-56-21-22-57-20-19-53-4/h7-16,23-26H,17-22H2,1-6H3,(H2,44,50)(H,45,47)(H,46,51)(H2,48,49,52)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 36n/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