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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM497327'   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM497327
PNG
(US11001595, Compound 1 | US11001595, Compound 5 | ...)
Show SMILES COc1ccc(Sc2sc3nc(N)nc(N)c3c2C)cc1OC
Show InChI InChI=1S/C15H16N4O2S2/c1-7-11-12(16)18-15(17)19-13(11)23-14(7)22-8-4-5-9(20-2)10(6-8)21-3/h4-6H,1-3H3,(H4,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.51E+4n/an/an/an/an/an/a



Duquesne University of The Holy Spirit

US Patent


Assay Description
TBD


US Patent US11001595 (2021)


BindingDB Entry DOI: 10.7270/Q25M68TQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM497327
PNG
(US11001595, Compound 1 | US11001595, Compound 5 | ...)
Show SMILES COc1ccc(Sc2sc3nc(N)nc(N)c3c2C)cc1OC
Show InChI InChI=1S/C15H16N4O2S2/c1-7-11-12(16)18-15(17)19-13(11)23-14(7)22-8-4-5-9(20-2)10(6-8)21-3/h4-6H,1-3H3,(H4,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.51E+4n/an/an/an/an/an/a


TBA

Assay Description
Table 9: Compounds 1 and 2, Section D., (see FIG. 4, bottom row, far right column) each inhibit VEGFR-2 and PDGFR-β for antiangiogenic effects a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QF8
More data for this
Ligand-Target Pair