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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM504413'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM504413
PNG
(US11040984, Compound 23)
Show SMILES COC[C@@H]1CN(C(=O)O1)c1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C20H18ClFN4O4/c1-28-9-11-8-26(20(27)30-11)16-6-12-15(7-17(16)29-2)23-10-24-19(12)25-14-5-3-4-13(21)18(14)22/h3-7,10-11H,8-9H2,1-2H3,(H,23,24,25)/t11-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0380n/an/an/an/an/an/a



MEDSHINE DISCOVERY INC.

US Patent


Assay Description
Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzy...


US Patent US11040984 (2021)

More data for this
Ligand-Target Pair