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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 = 'BDBM270601'   
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))
BDBM270601
PNG
((S)-N4-(3-chloro-4- fluorophenyl)-N6- ((4-chloroph...)
Show SMILES Fc1ccc(Nc2ncnc3ccc(N[C@H](c4cn(nn4)C4COC4)c4ccc(Cl)cc4)cc23)cc1Cl |r|
Show InChI InChI=1S/C26H20Cl2FN7O/c27-16-3-1-15(2-4-16)25(24-11-36(35-34-24)19-12-37-13-19)32-17-6-8-23-20(9-17)26(31-14-30-23)33-18-5-7-22(29)21(28)10-18/h1-11,14,19,25,32H,12-13H2,(H,30,31,33)/t25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 284n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10577352 (2020)


BindingDB Entry DOI: 10.7270/Q20P12D3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM270601
PNG
((S)-N4-(3-chloro-4- fluorophenyl)-N6- ((4-chloroph...)
Show SMILES Fc1ccc(Nc2ncnc3ccc(N[C@H](c4cn(nn4)C4COC4)c4ccc(Cl)cc4)cc23)cc1Cl |r|
Show InChI InChI=1S/C26H20Cl2FN7O/c27-16-3-1-15(2-4-16)25(24-11-36(35-34-24)19-12-37-13-19)32-17-6-8-23-20(9-17)26(31-14-30-23)33-18-5-7-22(29)21(28)10-18/h1-11,14,19,25,32H,12-13H2,(H,30,31,33)/t25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 284n/an/an/an/a7.025



GILEAD SCIENCES, INC.

US Patent


Assay Description
EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...


US Patent US10059695 (2018)


BindingDB Entry DOI: 10.7270/Q2FB54Z6
More data for this
Ligand-Target Pair