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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM255476'   
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))
BDBM255476
PNG
(US10125100, Example 1 | US9499486, 1 | US9751837, ...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H37N5O8S/c1-36(2,3)21-17-28(33(48-5)29(18-21)41-50(6,45)46)40-35(44)39-27-13-14-30(25-10-8-7-9-24(25)27)49-23-15-16-37-32(20-23)38-22-11-12-26(34(42)43)31(19-22)47-4/h7-20,41H,1-6H3,(H,37,38)(H,42,43)(H2,39,40,44)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of the compound of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that des...


US Patent US9499486 (2016)


BindingDB Entry DOI: 10.7270/Q21N801Z
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM255476
PNG
(US10125100, Example 1 | US9499486, 1 | US9751837, ...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H37N5O8S/c1-36(2,3)21-17-28(33(48-5)29(18-21)41-50(6,45)46)40-35(44)39-27-13-14-30(25-10-8-7-9-24(25)27)49-23-15-16-37-32(20-23)38-22-11-12-26(34(42)43)31(19-22)47-4/h7-20,41H,1-6H3,(H,37,38)(H,42,43)(H2,39,40,44)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/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))
BDBM255476
PNG
(US10125100, Example 1 | US9499486, 1 | US9751837, ...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H37N5O8S/c1-36(2,3)21-17-28(33(48-5)29(18-21)41-50(6,45)46)40-35(44)39-27-13-14-30(25-10-8-7-9-24(25)27)49-23-15-16-37-32(20-23)38-22-11-12-26(34(42)43)31(19-22)47-4/h7-20,41H,1-6H3,(H,37,38)(H,42,43)(H2,39,40,44)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/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